(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone

C12H8BrClO3 — CID 106683799

IUPAC(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)o2)c(Br)c1
InChIInChI=1S/C12H8BrClO3/c1-16-7-2-3-8(9(13)6-7)12(15)10-4-5-11(14)17-10/h2-6H,1H3
InChIKeyGURPHRCLVWBHCP-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.94
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone

(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone (PubChem CID 106683799) has the molecular formula C12H8BrClO3 and a molecular weight of 315.55 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
PubChem CID106683799
Molecular FormulaC12H8BrClO3
Molecular Weight315.55 g/mol
Exact Mass313.93
IUPAC Name(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)o2)c(Br)c1
InChIInChI=1S/C12H8BrClO3/c1-16-7-2-3-8(9(13)6-7)12(15)10-4-5-11(14)17-10/h2-6H,1H3
InChIKeyGURPHRCLVWBHCP-UHFFFAOYSA-N
XLogP3.94
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 112580783

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone (CID 106683799) is (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone is COc1ccc(C(=O)c2ccc(Cl)o2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The InChIKey is GURPHRCLVWBHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO3/c1-16-7-2-3-8(9(13)6-7)12(15)10-4-5-11(14)17-10/h2-6H,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone?
(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone has a molecular weight of 315.55 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone is sourced from PubChem (CID 106683799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).