6923719
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26
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18
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255
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5.4641
5.4641
4.5981
4.5981
5.4641
6.3301
6.3301
3.732
7.2241
7.2241
3.732
2.866
8.1301
8.1301
2.866
2
2
4.5981
3.9875
4.386
6.001
7.2169
7.2169
4.269
2.866
4.9272
8.6659
8.6659
2.866
1.4631
1.4631
0.905
-2.095
0.405
-0.595
-1.095
-0.595
0.405
0.905
-1.1297
0.9397
1.905
0.405
-0.6158
0.4258
2.405
0.905
1.905
1.025
-0.4873
-1.1776
-1.405
-1.7496
1.5596
2.215
-0.215
-2.405
-0.9279
0.7379
3.025
0.595
2.215
6
6
8
8
8
8
8
8
8
8
8
8
8
8
3
5
6
6
7
8
8
9
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16
8
2
7
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17
17
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
247
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0703000000000000000000000000000000000000000346080000000000000914000001A00000800000C14A098023006800006008002204200000208002020000888000608880C372284311A827820A5C01108B80780C0E00E00000000000800000000000000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2R,4R)-2-phenylchroman-4-ol
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2R,4R)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ol
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2R,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2R,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(2R,4R)-2-phenylchroman-4-ol
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/t13-,15-/m1/s1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
YTMFRMLVZQOBDR-UKRRQHHQSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
226.09938
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C15H14O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
226.27046
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1[C@H](C2=CC=CC=C2O[C@H]1C3=CC=CC=C3)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
29.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
226.09938
17
2
2
0
0
0
0
0
1
1