1-[4-(1-chloroethoxy)phenyl]ethanone

C10H11ClO2 — CID 21282318

IUPAC1-[4-(1-chloroethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC(C)Cl)cc1
InChIInChI=1S/C10H11ClO2/c1-7(12)9-3-5-10(6-4-9)13-8(2)11/h3-6,8H,1-2H3
InChIKeyAQXGBHKZDZGLHA-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.85
Rot. Bonds3

About 1-[4-(1-chloroethoxy)phenyl]ethanone

1-[4-(1-chloroethoxy)phenyl]ethanone (PubChem CID 21282318) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-[4-(1-chloroethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-chloroethoxy)phenyl]ethanone
PubChem CID21282318
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-[4-(1-chloroethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC(C)Cl)cc1
InChIInChI=1S/C10H11ClO2/c1-7(12)9-3-5-10(6-4-9)13-8(2)11/h3-6,8H,1-2H3
InChIKeyAQXGBHKZDZGLHA-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen
CID 162436996
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-(4-sulfanyloxyphenyl)ethanone
CID 87171019
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
1-(4-acetylphenyl)ethanone;methane
CID 159515104
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
CID 7062308
1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
CID 155743488

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-chloroethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(1-chloroethoxy)phenyl]ethanone (CID 21282318) is 1-[4-(1-chloroethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-chloroethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-chloroethoxy)phenyl]ethanone is CC(=O)c1ccc(OC(C)Cl)cc1.
What is the InChIKey of 1-[4-(1-chloroethoxy)phenyl]ethanone?
The InChIKey is AQXGBHKZDZGLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7(12)9-3-5-10(6-4-9)13-8(2)11/h3-6,8H,1-2H3.
What are the key properties of 1-[4-(1-chloroethoxy)phenyl]ethanone?
1-[4-(1-chloroethoxy)phenyl]ethanone has a molecular weight of 198.65 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-chloroethoxy)phenyl]ethanone is sourced from PubChem (CID 21282318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).