1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one

C10H11ClO2 — CID 59682183

IUPAC1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(O)cc1Cl
InChIInChI=1S/C10H11ClO2/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-6,12H,1-2H3
InChIKeyBYDGPLQISAVLMW-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.88
Rot. Bonds2

About 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one

1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one (PubChem CID 59682183) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one
PubChem CID59682183
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(O)cc1Cl
InChIInChI=1S/C10H11ClO2/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-6,12H,1-2H3
InChIKeyBYDGPLQISAVLMW-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-hydroxyphenyl)-2-methylbutan-1-one
CID 139652422
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
2-methylpropyl 2-chloro-4-hydroxybenzoate
CID 154400611
1-(2-chloro-4-hydroxy-5-methylphenyl)-2-methylpropan-1-one
CID 121321009
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
pentan-2-yl 2-chloro-4-hydroxybenzoate
CID 70617362
5-chloro-2-(2-methylpropanoyl)benzoic acid
CID 154678261
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
CID 14716302
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
4-(2-chloro-4-hydroxyphenyl)-2,4-dioxobutanoic acid
CID 91006990
2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one
CID 134619501

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one (CID 59682183) is 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc(O)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one?
The InChIKey is BYDGPLQISAVLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-6(2)10(13)8-4-3-7(12)5-9(8)11/h3-6,12H,1-2H3.
What are the key properties of 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one?
1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one has a molecular weight of 198.65 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 59682183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).