1-(4-chloro-2-methoxyphenyl)propan-1-one

C10H11ClO2 — CID 19901195

IUPAC1-(4-chloro-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C10H11ClO2/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6H,3H2,1-2H3
InChIKeyPELVKTMDDXVZAT-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-chloro-2-methoxyphenyl)propan-1-one

1-(4-chloro-2-methoxyphenyl)propan-1-one (PubChem CID 19901195) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)propan-1-one
PubChem CID19901195
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-(4-chloro-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C10H11ClO2/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6H,3H2,1-2H3
InChIKeyPELVKTMDDXVZAT-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
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1-(4-hydroxy-2-methoxyphenyl)propan-1-one
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sodium (4-chloro-2-methoxybenzoyl)azanide
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1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
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1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one
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1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-one
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2-bromo-1-[4-chloro-2-(trideuteriomethoxy)phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)propan-1-one (CID 19901195) is 1-(4-chloro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)propan-1-one is CCC(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)propan-1-one?
The InChIKey is PELVKTMDDXVZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)propan-1-one?
1-(4-chloro-2-methoxyphenyl)propan-1-one has a molecular weight of 198.65 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 19901195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).