3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one

C10H10Cl2O2 — CID 134658373

IUPAC3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(Cl)cc(C(=O)CCCl)c1
InChIInChI=1S/C10H10Cl2O2/c1-14-9-5-7(4-8(12)6-9)10(13)2-3-11/h4-6H,2-3H2,1H3
InChIKeyPBYATRZUEITZJN-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.16
Rot. Bonds4

About 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one

3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one (PubChem CID 134658373) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one
PubChem CID134658373
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(Cl)cc(C(=O)CCCl)c1
InChIInChI=1S/C10H10Cl2O2/c1-14-9-5-7(4-8(12)6-9)10(13)2-3-11/h4-6H,2-3H2,1H3
InChIKeyPBYATRZUEITZJN-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
magnesium bis(3-chloro-5-methoxybenzoate)
CID 160501066
3-chloro-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67816267
3-chloro-1-(3-ethoxy-5-methylphenyl)propan-1-one
CID 134625671
3-bromo-1-[3-chloro-5-(difluoromethoxy)phenyl]propan-1-one
CID 134625308
3-bromo-1-[3-(chloromethyl)-5-methoxyphenyl]propan-1-one
CID 131346272
ethyl 3-(3-chloropropanoyl)-5-ethoxybenzoate
CID 134642963
3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide
CID 56862267
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399
1-(2-bromo-4,6-dimethoxyphenyl)-3-chloropropan-1-one
CID 104645831
2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656340

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one?
The IUPAC name of 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one (CID 134658373) is 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one is COc1cc(Cl)cc(C(=O)CCCl)c1.
What is the InChIKey of 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one?
The InChIKey is PBYATRZUEITZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-14-9-5-7(4-8(12)6-9)10(13)2-3-11/h4-6H,2-3H2,1H3.
What are the key properties of 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one?
3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one has a molecular weight of 233.09 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one is sourced from PubChem (CID 134658373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).