1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone

C13H11ClO2 — CID 106865128

IUPAC1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccoc2)c(Cl)c1
InChIInChI=1S/C13H11ClO2/c1-9-2-3-11(12(14)6-9)13(15)7-10-4-5-16-8-10/h2-6,8H,7H2,1H3
InChIKeyLECHENIHQBCADE-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.67
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone

1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone (PubChem CID 106865128) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
PubChem CID106865128
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccoc2)c(Cl)c1
InChIInChI=1S/C13H11ClO2/c1-9-2-3-11(12(14)6-9)13(15)7-10-4-5-16-8-10/h2-6,8H,7H2,1H3
InChIKeyLECHENIHQBCADE-UHFFFAOYSA-N
XLogP3.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
CID 83171971
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
CID 115795910
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
1-(2-chloro-4-methylphenyl)-3,3-dimethylbutan-1-one
CID 146009717
1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602455
2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115795779
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656
1-(2-chloro-4-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 106865037

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone (CID 106865128) is 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone is Cc1ccc(C(=O)Cc2ccoc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone?
The InChIKey is LECHENIHQBCADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c1-9-2-3-11(12(14)6-9)13(15)7-10-4-5-16-8-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone?
1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone has a molecular weight of 234.68 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 106865128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).