1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one

C11H13ClO3 — CID 84792455

IUPAC1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one
SMILESCOc1c(C)cc(CC(C)=O)c(O)c1Cl
InChIInChI=1S/C11H13ClO3/c1-6-4-8(5-7(2)13)10(14)9(12)11(6)15-3/h4,14H,5H2,1-3H3
InChIKeyABDFPSCHGDNISC-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.49
Rot. Bonds3

About 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one

1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one (PubChem CID 84792455) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one
PubChem CID84792455
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one
SMILESCOc1c(C)cc(CC(C)=O)c(O)c1Cl
InChIInChI=1S/C11H13ClO3/c1-6-4-8(5-7(2)13)10(14)9(12)11(6)15-3/h4,14H,5H2,1-3H3
InChIKeyABDFPSCHGDNISC-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid
CID 84794027
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-one
CID 117325240
1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
CID 84665339
1-(3-hydroxy-2-methoxy-4-methylphenyl)propan-2-one
CID 117284457
1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 83886474
O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488
1-(2,4-dimethoxy-5-methylphenyl)propan-2-one
CID 24721213
1-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)propan-2-one
CID 117329472
1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
CID 54232083
1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one
CID 117430448
1-[(5-chloro-2-methoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234732
1-(4-chloro-3,5-dimethylphenyl)propan-2-one
CID 84774110

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one (CID 84792455) is 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one is COc1c(C)cc(CC(C)=O)c(O)c1Cl.
What is the InChIKey of 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one?
The InChIKey is ABDFPSCHGDNISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-6-4-8(5-7(2)13)10(14)9(12)11(6)15-3/h4,14H,5H2,1-3H3.
What are the key properties of 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one?
1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one has a molecular weight of 228.67 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one is sourced from PubChem (CID 84792455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).