4-hydroxy-1,4-diphenylpentan-1-one

C17H18O2 — CID 10634707

IUPAC4-hydroxy-1,4-diphenylpentan-1-one
SMILESCC(O)(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-17(19,15-10-6-3-7-11-15)13-12-16(18)14-8-4-2-5-9-14/h2-11,19H,12-13H2,1H3
InChIKeyKCCYOAATEDAXQN-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.56
Rot. Bonds5

About 4-hydroxy-1,4-diphenylpentan-1-one

4-hydroxy-1,4-diphenylpentan-1-one (PubChem CID 10634707) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-hydroxy-1,4-diphenylpentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1,4-diphenylpentan-1-one
PubChem CID10634707
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-hydroxy-1,4-diphenylpentan-1-one
SMILESCC(O)(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-17(19,15-10-6-3-7-11-15)13-12-16(18)14-8-4-2-5-9-14/h2-11,19H,12-13H2,1H3
InChIKeyKCCYOAATEDAXQN-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-1,4-diphenylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dihydroxy-1-phenylpentan-1-one
CID 163432539
1-phenylbutan-1-one
CID 10315
(E)-7-hydroxy-1,7-diphenyloct-2-en-1-one
CID 138977313
3,6,6-trimethyl-1,3-diphenylheptan-1-one
CID 102429461
1-phenylbutan-1-one;hydrobromide
CID 139638507
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
3-amino-3-hydroxy-1-phenylbutan-1-one
CID 141444107
4-hydroxy-4-(3-hydroxyphenyl)pentanoic acid
CID 66323839
tert-butyl 4-oxo-4-phenylbutanoate
CID 11746573
(3R)-3-methyl-1,3-diphenylpentan-1-one
CID 102205590
1,15-diphenylpentadecane-1,15-dione
CID 159981687
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,4-diphenylpentan-1-one?
The IUPAC name of 4-hydroxy-1,4-diphenylpentan-1-one (CID 10634707) is 4-hydroxy-1,4-diphenylpentan-1-one.
What is the SMILES notation for 4-hydroxy-1,4-diphenylpentan-1-one?
The canonical SMILES for 4-hydroxy-1,4-diphenylpentan-1-one is CC(O)(CCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-1,4-diphenylpentan-1-one?
The InChIKey is KCCYOAATEDAXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(19,15-10-6-3-7-11-15)13-12-16(18)14-8-4-2-5-9-14/h2-11,19H,12-13H2,1H3.
What are the key properties of 4-hydroxy-1,4-diphenylpentan-1-one?
4-hydroxy-1,4-diphenylpentan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,4-diphenylpentan-1-one is sourced from PubChem (CID 10634707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).