(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone

C13H11ClO4 — CID 106690992

IUPAC(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)o2)c(OC)c1
InChIInChI=1S/C13H11ClO4/c1-16-8-3-4-9(11(7-8)17-2)13(15)10-5-6-12(14)18-10/h3-7H,1-2H3
InChIKeyWNGODNNVGKDDHO-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.18
Rot. Bonds4

About (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone

(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 106690992) has the molecular formula C13H11ClO4 and a molecular weight of 266.68 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
PubChem CID106690992
Molecular FormulaC13H11ClO4
Molecular Weight266.68 g/mol
Exact Mass266.03
IUPAC Name(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)o2)c(OC)c1
InChIInChI=1S/C13H11ClO4/c1-16-8-3-4-9(11(7-8)17-2)13(15)10-5-6-12(14)18-10/h3-7H,1-2H3
InChIKeyWNGODNNVGKDDHO-UHFFFAOYSA-N
XLogP3.18
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683799
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
(2-amino-4-bromophenyl)-(2,4-dimethoxyphenyl)methanone
CID 116591704
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883
(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
CID 114971196
2,4-dimethoxybenzoate
CID 6947027
3-chloro-3-(2,4-dimethoxyphenyl)prop-2-enal
CID 86190919

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone (CID 106690992) is (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Cl)o2)c(OC)c1.
What is the InChIKey of (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is WNGODNNVGKDDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO4/c1-16-8-3-4-9(11(7-8)17-2)13(15)10-5-6-12(14)18-10/h3-7H,1-2H3.
What are the key properties of (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone?
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 266.68 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 106690992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).