6,6-diphenylhexan-3-ol

C18H22O — CID 57258566

IUPAC6,6-diphenylhexan-3-ol
SMILESCCC(O)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O/c1-2-17(19)13-14-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-19H,2,13-14H2,1H3
InChIKeyQTAIJSWDVFNUJW-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.37
Rot. Bonds6

About 6,6-diphenylhexan-3-ol

6,6-diphenylhexan-3-ol (PubChem CID 57258566) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 6,6-diphenylhexan-3-ol.

Molecular Properties

Compound Name6,6-diphenylhexan-3-ol
PubChem CID57258566
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name6,6-diphenylhexan-3-ol
SMILESCCC(O)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O/c1-2-17(19)13-14-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-19H,2,13-14H2,1H3
InChIKeyQTAIJSWDVFNUJW-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,4-triphenylbutan-1-ol
CID 141326006
6,6-difluoro-6-phenylhexan-3-ol
CID 116790314
1-phenylpropan-1-ol;hydrate
CID 156782934
(3S)-1-trityloxypentan-3-ol
CID 11163798
1,1-diphenylheptan-3-ol
CID 132530442
(5,5-dimethyl-1-phenylheptyl)benzene
CID 57073199
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
oxalic acid;1-phenylpropylbenzene
CID 67824543
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
4-ethyl-3-phenylhexan-2-ol
CID 135184809
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630

Frequently Asked Questions

What is the IUPAC name of 6,6-diphenylhexan-3-ol?
The IUPAC name of 6,6-diphenylhexan-3-ol (CID 57258566) is 6,6-diphenylhexan-3-ol.
What is the SMILES notation for 6,6-diphenylhexan-3-ol?
The canonical SMILES for 6,6-diphenylhexan-3-ol is CCC(O)CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 6,6-diphenylhexan-3-ol?
The InChIKey is QTAIJSWDVFNUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-2-17(19)13-14-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-19H,2,13-14H2,1H3.
What are the key properties of 6,6-diphenylhexan-3-ol?
6,6-diphenylhexan-3-ol has a molecular weight of 254.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenylhexan-3-ol is sourced from PubChem (CID 57258566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).