(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one

C16H16O2 — CID 86338935

IUPAC(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
SMILESCC(=O)[C@](C)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H16O2/c1-12(17)16(2,13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,18H,1-2H3/t16-/m1/s1
InChIKeyHCRCOEHZLKXTOQ-MRXNPFEDSA-N
MW240.30 g/mol
LogP3.29
Rot. Bonds3

About (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one

(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one (PubChem CID 86338935) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
PubChem CID86338935
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
SMILESCC(=O)[C@](C)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H16O2/c1-12(17)16(2,13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,18H,1-2H3/t16-/m1/s1
InChIKeyHCRCOEHZLKXTOQ-MRXNPFEDSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-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

copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
acetic acid;phenol
CID 70537927
2,2-bis(4-hydroxyphenyl)pentan-3-one
CID 102133981
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
2-(4-hydroxyphenyl)-2-(3-methoxyphenyl)propanoic acid;methyl acetate
CID 159897178
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl]oxidanium
CID 144946665
phenol;propan-2-one;hydrate
CID 161159865
4-[difluoro(phenyl)methyl]phenol
CID 83855777
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one?
The IUPAC name of (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one (CID 86338935) is (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one.
What is the SMILES notation for (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one?
The canonical SMILES for (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one is CC(=O)[C@](C)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one?
The InChIKey is HCRCOEHZLKXTOQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(17)16(2,13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,18H,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one?
(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one has a molecular weight of 240.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one is sourced from PubChem (CID 86338935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).