1,1-diphenylheptan-3-ol

C19H24O — CID 132530442

IUPAC1,1-diphenylheptan-3-ol
SMILESCCCCC(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O/c1-2-3-14-18(20)15-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-20H,2-3,14-15H2,1H3
InChIKeyVJJDTYHCPMUZMI-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.76
Rot. Bonds7

About 1,1-diphenylheptan-3-ol

1,1-diphenylheptan-3-ol (PubChem CID 132530442) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1,1-diphenylheptan-3-ol.

Molecular Properties

Compound Name1,1-diphenylheptan-3-ol
PubChem CID132530442
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1,1-diphenylheptan-3-ol
SMILESCCCCC(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O/c1-2-3-14-18(20)15-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-20H,2-3,14-15H2,1H3
InChIKeyVJJDTYHCPMUZMI-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diphenyltetradecan-3-ol
CID 102298194
(1S)-1-phenylpentan-1-ol
CID 6992754
(5R)-7-phenyldec-9-en-5-ol
CID 134965025
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
1-nitroso-1-phenyldecan-3-ol
CID 56975349
(5R,7S)-undecane-5,7-diol
CID 10899409
(2R)-2-phenylheptan-3-ol
CID 91322845
1-phenylheptan-3-ol
CID 10420110
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(ethylamino)-4,4-diphenylbutan-2-ol
CID 21411045
2-(1-phenylpentyl)phenol
CID 19601156
(3-methyl-1-phenyldodecyl)benzene
CID 91396098

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylheptan-3-ol?
The IUPAC name of 1,1-diphenylheptan-3-ol (CID 132530442) is 1,1-diphenylheptan-3-ol.
What is the SMILES notation for 1,1-diphenylheptan-3-ol?
The canonical SMILES for 1,1-diphenylheptan-3-ol is CCCCC(O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylheptan-3-ol?
The InChIKey is VJJDTYHCPMUZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-2-3-14-18(20)15-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-20H,2-3,14-15H2,1H3.
What are the key properties of 1,1-diphenylheptan-3-ol?
1,1-diphenylheptan-3-ol has a molecular weight of 268.40 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylheptan-3-ol is sourced from PubChem (CID 132530442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).