2-chloro-1-(3,5-dimethoxyphenyl)ethanone

C10H11ClO3 — CID 12526559

IUPAC2-chloro-1-(3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)CCl)c1
InChIInChI=1S/C10H11ClO3/c1-13-8-3-7(10(12)6-11)4-9(5-8)14-2/h3-5H,6H2,1-2H3
InChIKeyGOQDJUXAXTZKQD-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.13
Rot. Bonds4

About 2-chloro-1-(3,5-dimethoxyphenyl)ethanone

2-chloro-1-(3,5-dimethoxyphenyl)ethanone (PubChem CID 12526559) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-1-(3,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3,5-dimethoxyphenyl)ethanone
PubChem CID12526559
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-chloro-1-(3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)CCl)c1
InChIInChI=1S/C10H11ClO3/c1-13-8-3-7(10(12)6-11)4-9(5-8)14-2/h3-5H,6H2,1-2H3
InChIKeyGOQDJUXAXTZKQD-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
3-chloro-1-(3-chloro-5-methoxyphenyl)propan-1-one
CID 134658373
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-methylcarbamic acid
CID 90358271
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399
2-chloro-1-(3,5-ditert-butyl-4-methoxyphenyl)ethanone
CID 82265799
1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 129319908
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
3,5-dimethoxybenzoyl fluoride
CID 102051744
(2-chloroacetyl)-[[(3,5-dimethoxybenzoyl)amino]methyl]tin
CID 88771027
3-bromo-1-[3-(chloromethyl)-5-methoxyphenyl]propan-1-one
CID 131346272
1-(2-bromo-4-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004198

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(3,5-dimethoxyphenyl)ethanone (CID 12526559) is 2-chloro-1-(3,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(3,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(3,5-dimethoxyphenyl)ethanone is COc1cc(OC)cc(C(=O)CCl)c1.
What is the InChIKey of 2-chloro-1-(3,5-dimethoxyphenyl)ethanone?
The InChIKey is GOQDJUXAXTZKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-8-3-7(10(12)6-11)4-9(5-8)14-2/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-1-(3,5-dimethoxyphenyl)ethanone?
2-chloro-1-(3,5-dimethoxyphenyl)ethanone has a molecular weight of 214.65 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 12526559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).