1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one

C11H13ClO2 — CID 90278017

IUPAC1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(Cl)cc(O)c1C
InChIInChI=1S/C11H13ClO2/c1-3-4-10(13)9-5-8(12)6-11(14)7(9)2/h5-6,14H,3-4H2,1-2H3
InChIKeyWMEBSBCZHNXRBO-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.34
Rot. Bonds3

About 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one

1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one (PubChem CID 90278017) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one
PubChem CID90278017
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(Cl)cc(O)c1C
InChIInChI=1S/C11H13ClO2/c1-3-4-10(13)9-5-8(12)6-11(14)7(9)2/h5-6,14H,3-4H2,1-2H3
InChIKeyWMEBSBCZHNXRBO-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one
CID 81251881
2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone
CID 171008499
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
1-(2,5-dichloro-3-nitrophenyl)butan-1-one
CID 121380940
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
CID 82053774
1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
1-(5-chloro-2-hydroxyphenyl)octan-1-one
CID 3917734
3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
CID 117327645
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
CID 21284637
1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butan-1-one
CID 82266653
1-(4-chloro-3,5-dimethylphenyl)butan-1-one
CID 91656871

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one?
The IUPAC name of 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one (CID 90278017) is 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one.
What is the SMILES notation for 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one?
The canonical SMILES for 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one is CCCC(=O)c1cc(Cl)cc(O)c1C.
What is the InChIKey of 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one?
The InChIKey is WMEBSBCZHNXRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-3-4-10(13)9-5-8(12)6-11(14)7(9)2/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one?
1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one has a molecular weight of 212.68 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one is sourced from PubChem (CID 90278017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).