1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone

C12H16O2 — CID 131972140

IUPAC1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone
SMILESCC(=O)c1cc([C@@H](C)O)c(C)cc1C
InChIInChI=1S/C12H16O2/c1-7-5-8(2)12(10(4)14)6-11(7)9(3)13/h5-6,9,13H,1-4H3/t9-/m1/s1
InChIKeyZKNUHXJCYRPVBF-SECBINFHSA-N
MW192.26 g/mol
LogP2.56
Rot. Bonds2

About 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone

1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone (PubChem CID 131972140) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone
PubChem CID131972140
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone
SMILESCC(=O)c1cc([C@@H](C)O)c(C)cc1C
InChIInChI=1S/C12H16O2/c1-7-5-8(2)12(10(4)14)6-11(7)9(3)13/h5-6,9,13H,1-4H3/t9-/m1/s1
InChIKeyZKNUHXJCYRPVBF-SECBINFHSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(1-hydroxyethyl)-4-methylbenzoic acid
CID 117287628
1-(5-hydroxy-2,4-dimethylphenyl)ethanone
CID 119014480
3-(1-hydroxyethyl)-4-methylbenzoic acid
CID 83387982
5-(1-aminoethyl)-2,4-dimethylbenzoic acid
CID 55296170
4-acetyl-2-(difluoromethyl)-5-methylbenzaldehyde
CID 171032596
1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone
CID 131330773
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
1-[2,4-dimethyl-5-(trifluoromethyl)phenyl]ethanone
CID 131384997
1-(4,5-diethyl-2-methylphenyl)ethanone
CID 18705096
2-ethyl-4-(1-hydroxyethyl)-5-methylphenol
CID 117278450
2-(5-acetyl-2-methoxy-4-methylphenyl)-2-methoxyacetic acid
CID 67305498
2-acetyl-3-methylanthracene-9,10-dione
CID 141079935

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone?
The IUPAC name of 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone (CID 131972140) is 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone.
What is the SMILES notation for 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone?
The canonical SMILES for 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone is CC(=O)c1cc([C@@H](C)O)c(C)cc1C.
What is the InChIKey of 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone?
The InChIKey is ZKNUHXJCYRPVBF-SECBINFHSA-N. The full InChI is InChI=1S/C12H16O2/c1-7-5-8(2)12(10(4)14)6-11(7)9(3)13/h5-6,9,13H,1-4H3/t9-/m1/s1.
What are the key properties of 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone?
1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethanone is sourced from PubChem (CID 131972140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).