(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone

C14H12BrClO3 — CID 106683887

IUPAC(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1c(C)cc(Br)c(C)c1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H12BrClO3/c1-7-6-9(15)8(2)12(14(7)18-3)13(17)10-4-5-11(16)19-10/h4-6H,1-3H3
InChIKeyLSNCDDQQGSVJDK-UHFFFAOYSA-N
MW343.60 g/mol
LogP4.55
Rot. Bonds3

About (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone (PubChem CID 106683887) has the molecular formula C14H12BrClO3 and a molecular weight of 343.60 g/mol. Its IUPAC name is (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone
PubChem CID106683887
Molecular FormulaC14H12BrClO3
Molecular Weight343.60 g/mol
Exact Mass341.97
IUPAC Name(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1c(C)cc(Br)c(C)c1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H12BrClO3/c1-7-6-9(15)8(2)12(14(7)18-3)13(17)10-4-5-11(16)19-10/h4-6H,1-3H3
InChIKeyLSNCDDQQGSVJDK-UHFFFAOYSA-N
XLogP4.55
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-dibromophenyl)methanone
CID 107979689
methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037
(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683799
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
CID 84803778
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 106690970
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
CID 82625822
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
CID 106946887

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone?
The IUPAC name of (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone (CID 106683887) is (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone?
The canonical SMILES for (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone is COc1c(C)cc(Br)c(C)c1C(=O)c1ccc(Cl)o1.
What is the InChIKey of (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone?
The InChIKey is LSNCDDQQGSVJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO3/c1-7-6-9(15)8(2)12(14(7)18-3)13(17)10-4-5-11(16)19-10/h4-6H,1-3H3.
What are the key properties of (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone?
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone has a molecular weight of 343.60 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone is sourced from PubChem (CID 106683887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).