2-chloro-2-(3-methoxyphenyl)acetyl chloride

C9H8Cl2O2 — CID 14169390

IUPAC2-chloro-2-(3-methoxyphenyl)acetyl chloride
SMILESCOc1cccc(C(Cl)C(=O)Cl)c1
InChIInChI=1S/C9H8Cl2O2/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8H,1H3
InChIKeyGXDNIYDCBWUHLY-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.74
Rot. Bonds3

About 2-chloro-2-(3-methoxyphenyl)acetyl chloride

2-chloro-2-(3-methoxyphenyl)acetyl chloride (PubChem CID 14169390) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 2-chloro-2-(3-methoxyphenyl)acetyl chloride.

Molecular Properties

Compound Name2-chloro-2-(3-methoxyphenyl)acetyl chloride
PubChem CID14169390
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name2-chloro-2-(3-methoxyphenyl)acetyl chloride
SMILESCOc1cccc(C(Cl)C(=O)Cl)c1
InChIInChI=1S/C9H8Cl2O2/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8H,1H3
InChIKeyGXDNIYDCBWUHLY-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride
CID 87204041
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 60934244
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 13055743
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-methoxyphenyl)acetyl chloride?
The IUPAC name of 2-chloro-2-(3-methoxyphenyl)acetyl chloride (CID 14169390) is 2-chloro-2-(3-methoxyphenyl)acetyl chloride.
What is the SMILES notation for 2-chloro-2-(3-methoxyphenyl)acetyl chloride?
The canonical SMILES for 2-chloro-2-(3-methoxyphenyl)acetyl chloride is COc1cccc(C(Cl)C(=O)Cl)c1.
What is the InChIKey of 2-chloro-2-(3-methoxyphenyl)acetyl chloride?
The InChIKey is GXDNIYDCBWUHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8H,1H3.
What are the key properties of 2-chloro-2-(3-methoxyphenyl)acetyl chloride?
2-chloro-2-(3-methoxyphenyl)acetyl chloride has a molecular weight of 219.07 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-methoxyphenyl)acetyl chloride is sourced from PubChem (CID 14169390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).