2-chloro-2-(2-methoxyphenyl)ethenone

C9H7ClO2 — CID 87462542

IUPAC2-chloro-2-(2-methoxyphenyl)ethenone
SMILESCOc1ccccc1C(Cl)=C=O
InChIInChI=1S/C9H7ClO2/c1-12-9-5-3-2-4-7(9)8(10)6-11/h2-5H,1H3
InChIKeyYIUMAQOVZBERPV-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.11
Rot. Bonds2

About 2-chloro-2-(2-methoxyphenyl)ethenone

2-chloro-2-(2-methoxyphenyl)ethenone (PubChem CID 87462542) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-chloro-2-(2-methoxyphenyl)ethenone.

Molecular Properties

Compound Name2-chloro-2-(2-methoxyphenyl)ethenone
PubChem CID87462542
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name2-chloro-2-(2-methoxyphenyl)ethenone
SMILESCOc1ccccc1C(Cl)=C=O
InChIInChI=1S/C9H7ClO2/c1-12-9-5-3-2-4-7(9)8(10)6-11/h2-5H,1H3
InChIKeyYIUMAQOVZBERPV-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1,2-dichloroprop-1-enyl]-2-methoxybenzene
CID 118255169
3-chloro-3-(2-methoxyphenyl)prop-2-enenitrile
CID 74864079
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
CID 135043978
CID 135043978
2-methoxybenzoyl iodide
CID 139677083
3-chloro-3-(2-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 76922450
N-ethynyl-2-methoxybenzenecarboximidoyl chloride
CID 166806658
2-methoxybenzoate;hydrochloride
CID 18793456
ethane;methyl 2-methoxybenzoate
CID 178037044
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene
CID 154718283
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-methoxyphenyl)ethenone?
The IUPAC name of 2-chloro-2-(2-methoxyphenyl)ethenone (CID 87462542) is 2-chloro-2-(2-methoxyphenyl)ethenone.
What is the SMILES notation for 2-chloro-2-(2-methoxyphenyl)ethenone?
The canonical SMILES for 2-chloro-2-(2-methoxyphenyl)ethenone is COc1ccccc1C(Cl)=C=O.
What is the InChIKey of 2-chloro-2-(2-methoxyphenyl)ethenone?
The InChIKey is YIUMAQOVZBERPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c1-12-9-5-3-2-4-7(9)8(10)6-11/h2-5H,1H3.
What are the key properties of 2-chloro-2-(2-methoxyphenyl)ethenone?
2-chloro-2-(2-methoxyphenyl)ethenone has a molecular weight of 182.61 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-methoxyphenyl)ethenone is sourced from PubChem (CID 87462542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).