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

C13H10Cl2O4 — CID 106683764

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(Cl)o2)cc1OC
InChIInChI=1S/C13H10Cl2O4/c1-17-10-5-7(8(14)6-11(10)18-2)13(16)9-3-4-12(15)19-9/h3-6H,1-2H3
InChIKeyYMYJQAWSYMHUGZ-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.83
Rot. Bonds4

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

(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone (PubChem CID 106683764) has the molecular formula C13H10Cl2O4 and a molecular weight of 301.13 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
PubChem CID106683764
Molecular FormulaC13H10Cl2O4
Molecular Weight301.13 g/mol
Exact Mass300.00
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(Cl)o2)cc1OC
InChIInChI=1S/C13H10Cl2O4/c1-17-10-5-7(8(14)6-11(10)18-2)13(16)9-3-4-12(15)19-9/h3-6H,1-2H3
InChIKeyYMYJQAWSYMHUGZ-UHFFFAOYSA-N
XLogP3.83
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683799
(5-chlorofuran-2-yl)-(2,4-dichlorophenyl)methanone
CID 106683803
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883
(2-aminophenyl)-(5-chlorofuran-2-yl)methanone
CID 105478534
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(2-amino-4,5-dimethoxyphenyl)-[5-(4-chlorophenyl)furan-2-yl]methanone
CID 7148505
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107959921
(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 106690970
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone (CID 106683764) is (2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone is COc1cc(Cl)c(C(=O)c2ccc(Cl)o2)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The InChIKey is YMYJQAWSYMHUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O4/c1-17-10-5-7(8(14)6-11(10)18-2)13(16)9-3-4-12(15)19-9/h3-6H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone?
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone has a molecular weight of 301.13 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone is sourced from PubChem (CID 106683764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).