3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one

C19H22O2 — CID 139254931

IUPAC3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one
SMILESCC(=O)C(CCCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C19H22O2/c1-15(20)18(19(21)17-12-6-3-7-13-17)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,18-19,21H,8,11,14H2,1H3
InChIKeyFEJIWVNRWKSRQL-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.95
Rot. Bonds7

About 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one

3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one (PubChem CID 139254931) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one
PubChem CID139254931
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one
SMILESCC(=O)C(CCCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C19H22O2/c1-15(20)18(19(21)17-12-6-3-7-13-17)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,18-19,21H,8,11,14H2,1H3
InChIKeyFEJIWVNRWKSRQL-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[hydroxy(phenyl)methyl]-5-iodopentan-2-one
CID 14007047
3-methyl-6-phenylhexan-2-one
CID 59396975
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide
CID 11729459
(2S)-2,5-diphenylpentanoic acid
CID 7054365
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
3,6-diphenylhexan-1-ol
CID 54360227
(3S,4S)-3,4-dihydroxy-4-phenylbutan-2-one
CID 101138777
4-(1-hydroxy-4-phenylbutyl)benzoic acid
CID 14816598
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
ethyl 2-acetyl-5-phenylpentanoate
CID 14921745

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one?
The IUPAC name of 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one (CID 139254931) is 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one is CC(=O)C(CCCc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one?
The InChIKey is FEJIWVNRWKSRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-15(20)18(19(21)17-12-6-3-7-13-17)14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,18-19,21H,8,11,14H2,1H3.
What are the key properties of 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one?
3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one has a molecular weight of 282.38 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one is sourced from PubChem (CID 139254931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).