1-(2-chloro-6-methoxyphenyl)ethanone

C9H9ClO2 — CID 71464357

IUPAC1-(2-chloro-6-methoxyphenyl)ethanone
SMILESCOc1cccc(Cl)c1C(C)=O
InChIInChI=1S/C9H9ClO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-5H,1-2H3
InChIKeyBTNKHLHHSHJZHD-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.55
Rot. Bonds2

About 1-(2-chloro-6-methoxyphenyl)ethanone

1-(2-chloro-6-methoxyphenyl)ethanone (PubChem CID 71464357) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)ethanone
PubChem CID71464357
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name1-(2-chloro-6-methoxyphenyl)ethanone
SMILESCOc1cccc(Cl)c1C(C)=O
InChIInChI=1S/C9H9ClO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-5H,1-2H3
InChIKeyBTNKHLHHSHJZHD-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1-(2-chloro-6-cyclopropyloxyphenyl)ethanone
CID 144572447
(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine
CID 135075756
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
CID 131187635
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate
CID 10945491
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
CID 159993809
CID 159993809
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)ethanone (CID 71464357) is 1-(2-chloro-6-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)ethanone is COc1cccc(Cl)c1C(C)=O.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)ethanone?
The InChIKey is BTNKHLHHSHJZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-5H,1-2H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)ethanone?
1-(2-chloro-6-methoxyphenyl)ethanone has a molecular weight of 184.62 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)ethanone is sourced from PubChem (CID 71464357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).