1-(4-chloro-3-methoxyphenyl)ethanone

C9H9ClO2 — CID 18699227

IUPAC1-(4-chloro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)ccc1Cl
InChIInChI=1S/C9H9ClO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,1-2H3
InChIKeyCMUQMDVLLMKOCT-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.55
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)ethanone

1-(4-chloro-3-methoxyphenyl)ethanone (PubChem CID 18699227) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)ethanone
PubChem CID18699227
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name1-(4-chloro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)ccc1Cl
InChIInChI=1S/C9H9ClO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,1-2H3
InChIKeyCMUQMDVLLMKOCT-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-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
1-[4-chloro-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 59637041
(5-acetyl-2-chlorophenoxy)boronic acid
CID 142734077
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
CID 82540809
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone
CID 112788064
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)ethanone (CID 18699227) is 1-(4-chloro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)ethanone is COc1cc(C(C)=O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)ethanone?
The InChIKey is CMUQMDVLLMKOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)ethanone?
1-(4-chloro-3-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-(4-chloro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 18699227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).