3,6-diphenylhexan-1-ol

C18H22O — CID 54360227

IUPAC3,6-diphenylhexan-1-ol
SMILESOCCC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O/c19-15-14-18(17-11-5-2-6-12-17)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,18-19H,7,10,13-15H2
InChIKeyZTQFPBULRCYEHZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.18
Rot. Bonds7

About 3,6-diphenylhexan-1-ol

3,6-diphenylhexan-1-ol (PubChem CID 54360227) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 3,6-diphenylhexan-1-ol.

Molecular Properties

Compound Name3,6-diphenylhexan-1-ol
PubChem CID54360227
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name3,6-diphenylhexan-1-ol
SMILESOCCC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O/c19-15-14-18(17-11-5-2-6-12-17)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,18-19H,7,10,13-15H2
InChIKeyZTQFPBULRCYEHZ-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenylundecan-1-ol
CID 101150144
5-bromo-3-phenylpentan-1-ol
CID 66988261
5-(4-methoxyphenyl)-3-phenylpentan-1-ol
CID 71490427
N,N-dimethyl-4,8-diphenyloctan-1-amine
CID 13230987
(2R)-5-phenylpentane-1,2-diol
CID 102483629
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
(2S)-2,5-diphenylpentanoic acid
CID 7054365
N-(5-hydroxy-3-phenylpentyl)-1-phenylmethanesulfonamide
CID 121112268
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
6-(hydroxyamino)-4-phenylhexan-1-ol
CID 134423363

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenylhexan-1-ol?
The IUPAC name of 3,6-diphenylhexan-1-ol (CID 54360227) is 3,6-diphenylhexan-1-ol.
What is the SMILES notation for 3,6-diphenylhexan-1-ol?
The canonical SMILES for 3,6-diphenylhexan-1-ol is OCCC(CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 3,6-diphenylhexan-1-ol?
The InChIKey is ZTQFPBULRCYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c19-15-14-18(17-11-5-2-6-12-17)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,18-19H,7,10,13-15H2.
What are the key properties of 3,6-diphenylhexan-1-ol?
3,6-diphenylhexan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenylhexan-1-ol is sourced from PubChem (CID 54360227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).