(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone

C12H9ClO3 — CID 21430685

IUPAC(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C12H9ClO3/c1-15-8-4-5-9(10(13)7-8)12(14)11-3-2-6-16-11/h2-7H,1H3
InChIKeyOIWDMRDXLNRJBF-UHFFFAOYSA-N
MW236.65 g/mol
LogP3.17
Rot. Bonds3

About (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone

(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone (PubChem CID 21430685) has the molecular formula C12H9ClO3 and a molecular weight of 236.65 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
PubChem CID21430685
Molecular FormulaC12H9ClO3
Molecular Weight236.65 g/mol
Exact Mass236.02
IUPAC Name(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C12H9ClO3/c1-15-8-4-5-9(10(13)7-8)12(14)11-3-2-6-16-11/h2-7H,1H3
InChIKeyOIWDMRDXLNRJBF-UHFFFAOYSA-N
XLogP3.17
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone
CID 18967626
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
CID 43561630
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
(4-chloronaphthalen-1-yl)-(furan-2-yl)methanone
CID 79601314
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone?
The IUPAC name of (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone (CID 21430685) is (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone is COc1ccc(C(=O)c2ccco2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone?
The InChIKey is OIWDMRDXLNRJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3/c1-15-8-4-5-9(10(13)7-8)12(14)11-3-2-6-16-11/h2-7H,1H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone?
(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone has a molecular weight of 236.65 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone is sourced from PubChem (CID 21430685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).