1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one

C12H15ClO2 — CID 62379205

IUPAC1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(O)c(C(=O)C(C)C)c(C)c1Cl
InChIInChI=1S/C12H15ClO2/c1-6(2)12(15)10-8(4)11(13)7(3)5-9(10)14/h5-6,14H,1-4H3
InChIKeyYDLBNSJFAMJMCA-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.50
Rot. Bonds2

About 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one

1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one (PubChem CID 62379205) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one
PubChem CID62379205
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(O)c(C(=O)C(C)C)c(C)c1Cl
InChIInChI=1S/C12H15ClO2/c1-6(2)12(15)10-8(4)11(13)7(3)5-9(10)14/h5-6,14H,1-4H3
InChIKeyYDLBNSJFAMJMCA-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-1-hydroxy-2-naphthoic acid
CID 79416
3-Chloro-6-hydroxyacetophenone
CID 74061
2'-Hydroxy-4',5'-dimethylacetophenone
CID 118976
(2E)-1-(5-chloro-2-hydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 5908055
1,5-Dichloro-4,8-dihydroxy-anthraquinone
CID 23271
5'-Chloro-2'-hydroxy-4'-methylacetophenone
CID 598229
3-Acetamidophenyl acetate
CID 85287
5-Chloro-2-hydroxy-4-methylbenzophenone
CID 555814
5-Chloro-8-hydroxy-6-methylnaphthalene-1,4-dione
CID 314980
8-Chloro-5-hydroxy-6-methyl-1,4-naphthoquinone
CID 12697034
5-Chloro-8-hydroxynaphthalene-1,4-dione
CID 301371
1-Chloro-4-hydroxyanthraquinone
CID 66510

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one (CID 62379205) is 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one is Cc1cc(O)c(C(=O)C(C)C)c(C)c1Cl.
What is the InChIKey of 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one?
The InChIKey is YDLBNSJFAMJMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-6(2)12(15)10-8(4)11(13)7(3)5-9(10)14/h5-6,14H,1-4H3.
What are the key properties of 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one?
1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one has a molecular weight of 226.70 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 62379205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).