1-(4-hydroxy-3-methylphenyl)pentan-2-one

C12H16O2 — CID 118271317

IUPAC1-(4-hydroxy-3-methylphenyl)pentan-2-one
SMILESCCCC(=O)Cc1ccc(O)c(C)c1
InChIInChI=1S/C12H16O2/c1-3-4-11(13)8-10-5-6-12(14)9(2)7-10/h5-7,14H,3-4,8H2,1-2H3
InChIKeyQZWYVRWQPLQNHW-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds4

About 1-(4-hydroxy-3-methylphenyl)pentan-2-one

1-(4-hydroxy-3-methylphenyl)pentan-2-one (PubChem CID 118271317) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylphenyl)pentan-2-one
PubChem CID118271317
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(4-hydroxy-3-methylphenyl)pentan-2-one
SMILESCCCC(=O)Cc1ccc(O)c(C)c1
InChIInChI=1S/C12H16O2/c1-3-4-11(13)8-10-5-6-12(14)9(2)7-10/h5-7,14H,3-4,8H2,1-2H3
InChIKeyQZWYVRWQPLQNHW-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)pentan-2-one
CID 159318556
1-cyclopropyl-2-(4-hydroxy-3-methylphenyl)ethanone
CID 118270884
4-butyl-2-methylphenol
CID 10964856
acetaldehyde;4-ethyl-2-methylphenol
CID 143589394
4-(2-oxopentyl)benzoic acid
CID 23022561
butane;(4-hydroxy-3-methylphenyl)methylphosphonic acid
CID 174758870
1-(4-methylsulfanylphenyl)pentan-2-one
CID 91656008
2-methyl-4-octadecylphenol
CID 3022311
1-(3,4-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 62901853
1-(3,4-dimethylphenyl)-5-methylhex-5-en-2-one
CID 114473536
5-(2-aminoethyl)-1-(3,4-dimethylphenyl)octan-2-one
CID 116582921
butyl 4-(4-hydroxy-3-methylphenyl)butanoate
CID 174757530

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylphenyl)pentan-2-one?
The IUPAC name of 1-(4-hydroxy-3-methylphenyl)pentan-2-one (CID 118271317) is 1-(4-hydroxy-3-methylphenyl)pentan-2-one.
What is the SMILES notation for 1-(4-hydroxy-3-methylphenyl)pentan-2-one?
The canonical SMILES for 1-(4-hydroxy-3-methylphenyl)pentan-2-one is CCCC(=O)Cc1ccc(O)c(C)c1.
What is the InChIKey of 1-(4-hydroxy-3-methylphenyl)pentan-2-one?
The InChIKey is QZWYVRWQPLQNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-4-11(13)8-10-5-6-12(14)9(2)7-10/h5-7,14H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3-methylphenyl)pentan-2-one?
1-(4-hydroxy-3-methylphenyl)pentan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylphenyl)pentan-2-one is sourced from PubChem (CID 118271317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).