139096
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2.866
6.3301
4.5981
4.5981
3.732
5.4641
3.732
5.4641
2.866
6.3301
7.1962
2
5.4641
3.732
2
7.1962
3.732
5.4641
2.866
6.3301
4.386
3.9875
4.8101
5.2087
3.52
3.1215
5.6762
6.0747
3.9441
4.3426
5.252
4.8535
1.4631
7.7331
4.269
4.9272
1.4631
7.7331
4.269
4.9272
2.866
6.3301
-2.5
2.5
-0.5
0.5
-1
1
-2
2
-3.5
3.5
4
-4
4
-4
-5
5
-5
5
-5.5
5.5
1.0826
0.3923
-1.0826
-0.3923
-0.4174
-1.1077
0.4174
1.1077
-2.5826
-1.8923
2.5826
1.8923
-3.69
3.69
-3.69
3.69
-5.31
5.31
-5.31
5.31
-6.12
6.12
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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
194
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
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E0783000000000000000000000000000000000000000306000000000000000014000001A00000000000804A090023006800004008000204200000208002020000888000608880C262284311A823820A4C01108A8078040000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-phenoxyhexoxybenzene
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-phenoxyhexoxybenzene
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-phenoxyhexoxybenzene
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-phenoxyhexoxybenzene
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
6-phenoxyhexoxybenzene
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C18H22O2/c1(9-15-19-17-11-5-3-6-12-17)2-10-16-20-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
BLBMCHWSWYHXFF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
270.16198
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C18H22O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
270.36608
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)OCCCCCCOC2=CC=CC=C2
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)OCCCCCCOC2=CC=CC=C2
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
18.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
270.16198
20
0
0
0
0
0
0
0
1
1