3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one

C19H22O2 — CID 134942515

IUPAC3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one
SMILESCC(C)C(O)C(C)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-13(2)18(20)14(3)19(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18,20H,1-3H3
InChIKeyAWMWQYVJIUXDDX-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.19
Rot. Bonds5

About 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one

3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one (PubChem CID 134942515) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one.

Molecular Properties

Compound Name3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one
PubChem CID134942515
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one
SMILESCC(C)C(O)C(C)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-13(2)18(20)14(3)19(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18,20H,1-3H3
InChIKeyAWMWQYVJIUXDDX-UHFFFAOYSA-N
XLogP4.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
2-[hydroxy-(4-phenylphenyl)methyl]-3-methylbutanoic acid
CID 62396839
(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15441495
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methyl-1-phenylbutan-1-one
CID 101153138
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
CID 82348090
dimethyl 2-(4-phenylbenzoyl)propanedioate
CID 10852564
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
1-[4-[4-(1-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-1-ol
CID 154573668

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one?
The IUPAC name of 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one (CID 134942515) is 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one.
What is the SMILES notation for 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one?
The canonical SMILES for 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one is CC(C)C(O)C(C)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one?
The InChIKey is AWMWQYVJIUXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13(2)18(20)14(3)19(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18,20H,1-3H3.
What are the key properties of 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one?
3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one is sourced from PubChem (CID 134942515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).