[3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone

C32H32O3 — CID 129081682

IUPAC[3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone
SMILESCC(C)(O)CC(O)(CCc1ccc(-c2cccc(C(=O)c3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C32H32O3/c1-31(2,34)23-32(35,29-14-7-4-8-15-29)21-20-24-16-18-25(19-17-24)27-12-9-13-28(22-27)30(33)26-10-5-3-6-11-26/h3-19,22,34-35H,20-21,23H2,1-2H3
InChIKeyUTCVKZYQRPZCQJ-UHFFFAOYSA-N
MW464.61 g/mol
LogP6.57
Rot. Bonds9

About [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone

[3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone (PubChem CID 129081682) has the molecular formula C32H32O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone
PubChem CID129081682
Molecular FormulaC32H32O3
Molecular Weight464.61 g/mol
Exact Mass464.24
IUPAC Name[3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone
SMILESCC(C)(O)CC(O)(CCc1ccc(-c2cccc(C(=O)c3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C32H32O3/c1-31(2,34)23-32(35,29-14-7-4-8-15-29)21-20-24-16-18-25(19-17-24)27-12-9-13-28(22-27)30(33)26-10-5-3-6-11-26/h3-19,22,34-35H,20-21,23H2,1-2H3
InChIKeyUTCVKZYQRPZCQJ-UHFFFAOYSA-N
XLogP6.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone 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

3-[2-[4-(3-benzoylphenyl)phenyl]ethyl]-3,5,5,6-tetramethylhept-6-en-2-one
CID 129081670
[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone
CID 134547269
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
3-(4-butylphenyl)benzoic acid
CID 2757303
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane
CID 143590159
2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
CID 159826180
3-[2-(3-benzoylphenyl)ethyl]-3,5,5-trimethylheptane-2,6-dione
CID 90453599
phenyl-(4-phenylphenyl)methanone
CID 155775877
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
CID 144791814

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone?
The IUPAC name of [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone (CID 129081682) is [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone is CC(C)(O)CC(O)(CCc1ccc(-c2cccc(C(=O)c3ccccc3)c2)cc1)c1ccccc1.
What is the InChIKey of [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone?
The InChIKey is UTCVKZYQRPZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O3/c1-31(2,34)23-32(35,29-14-7-4-8-15-29)21-20-24-16-18-25(19-17-24)27-12-9-13-28(22-27)30(33)26-10-5-3-6-11-26/h3-19,22,34-35H,20-21,23H2,1-2H3.
What are the key properties of [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone?
[3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone has a molecular weight of 464.61 g/mol, XLogP of 6.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3,5-dihydroxy-5-methyl-3-phenylhexyl)phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 129081682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).