2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan

C12H9BrCl2O2 — CID 61081362

IUPAC2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan
SMILESCOc1ccc(C(Cl)c2ccc(Br)o2)cc1Cl
InChIInChI=1S/C12H9BrCl2O2/c1-16-9-3-2-7(6-8(9)14)12(15)10-4-5-11(13)17-10/h2-6,12H,1H3
InChIKeyDYIJASUEFNQHJF-UHFFFAOYSA-N
MW336.01 g/mol
LogP5.03
Rot. Bonds3

About 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan

2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan (PubChem CID 61081362) has the molecular formula C12H9BrCl2O2 and a molecular weight of 336.01 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan
PubChem CID61081362
Molecular FormulaC12H9BrCl2O2
Molecular Weight336.01 g/mol
Exact Mass333.92
IUPAC Name2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan
SMILESCOc1ccc(C(Cl)c2ccc(Br)o2)cc1Cl
InChIInChI=1S/C12H9BrCl2O2/c1-16-9-3-2-7(6-8(9)14)12(15)10-4-5-11(13)17-10/h2-6,12H,1H3
InChIKeyDYIJASUEFNQHJF-UHFFFAOYSA-N
XLogP5.03
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.01
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 107980802
2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
CID 61086394
1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 55198869
2-chloro-4-[chloro-(4-methylphenyl)methyl]-1-methoxybenzene
CID 55198679
2-chloro-4-[chloro-(4-methylsulfanylphenyl)methyl]-1-methoxybenzene
CID 79217437
1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 63428742
1-[chloro-(3-chloro-4-methoxyphenyl)methyl]-2,3,4-trifluorobenzene
CID 79756898
1-(5-bromofuran-2-yl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479896
2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
CID 114028096
4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
CID 103514473
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan
CID 63434186

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan?
The IUPAC name of 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan (CID 61081362) is 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan?
The canonical SMILES for 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan is COc1ccc(C(Cl)c2ccc(Br)o2)cc1Cl.
What is the InChIKey of 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan?
The InChIKey is DYIJASUEFNQHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2O2/c1-16-9-3-2-7(6-8(9)14)12(15)10-4-5-11(13)17-10/h2-6,12H,1H3.
What are the key properties of 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan?
2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan has a molecular weight of 336.01 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan is sourced from PubChem (CID 61081362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).