256934
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6
30
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255
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6.3301
2.866
2.866
4.5981
4.5981
5.4641
3.732
5.4641
3.732
4.5981
4.5981
3.732
5.4641
3.732
5.4641
4.5981
2
2.866
5.4641
5.135
5.4641
3.1215
3.52
6.0747
5.6762
3.52
3.1215
4.9966
4.1996
6.8671
6.001
6.001
1.69
1.4631
2.31
2.246
2.866
3.486
5.1541
6.001
5.7741
1.25
0.25
-1.75
-2.75
1.25
1.75
1.75
2.75
2.75
3.25
0.25
-0.25
-0.25
-1.25
-1.25
-1.75
-0.25
-2.75
-3.25
0.94
1.13
1.8577
1.1674
2.6423
3.3326
3.3326
2.6423
3.725
3.725
1.56
0.06
-1.56
0.2869
-0.56
-0.7869
-2.75
-3.37
-2.75
-3.7869
-3.56
-2.7131
3
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
271
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E0703800000000000000000000000000000000000000306000000000000000010000001A00000800000D14A098023206800006008002204200000208002020000888000688880D372284311A80702225C0150AA807C0E0FC0EA0000108000840004000021000108000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2,3,4-trimethoxyphenyl)cyclohexanol
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2,3,4-trimethoxyphenyl)-1-cyclohexanol
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2,3,4-trimethoxyphenyl)cyclohexan-1-ol
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2,3,4-trimethoxyphenyl)cyclohexan-1-ol
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2,3,4-trimethoxyphenyl)cyclohexanol
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C15H22O4/c1-17-13-9-8-11(14(18-2)15(13)19-3)10-6-4-5-7-12(10)16/h8-10,12,16H,4-7H2,1-3H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
RDBXVOVIDBTYAR-UHFFFAOYSA-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
266.151809
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C15H22O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
266.33278
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=C(C(=C(C=C1)C2CCCCC2O)OC)OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=C(C(=C(C=C1)C2CCCCC2O)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
47.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
266.151809
19
2
0
2
0
0
0
0
1
1