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

C12H8BrCl3O2 — CID 106855701

IUPAC2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan
SMILESCOc1cc(Cl)c(C(Cl)c2ccoc2Br)cc1Cl
InChIInChI=1S/C12H8BrCl3O2/c1-17-10-5-8(14)7(4-9(10)15)11(16)6-2-3-18-12(6)13/h2-5,11H,1H3
InChIKeyVCPZZPNWXDCEQR-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.69
Rot. Bonds3

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

2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan (PubChem CID 106855701) has the molecular formula C12H8BrCl3O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan
PubChem CID106855701
Molecular FormulaC12H8BrCl3O2
Molecular Weight370.46 g/mol
Exact Mass367.88
IUPAC Name2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan
SMILESCOc1cc(Cl)c(C(Cl)c2ccoc2Br)cc1Cl
InChIInChI=1S/C12H8BrCl3O2/c1-17-10-5-8(14)7(4-9(10)15)11(16)6-2-3-18-12(6)13/h2-5,11H,1H3
InChIKeyVCPZZPNWXDCEQR-UHFFFAOYSA-N
XLogP5.69
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.69
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

2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
CID 106855501
1-[(3-bromo-2-fluorophenyl)-chloromethyl]-2,5-dichloro-4-methoxybenzene
CID 107959110
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol
CID 106855351
(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanamine
CID 106851517
N-[(2-bromofuran-3-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858080
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63433300
1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116914633
2,5-dibromo-3-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964535
2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
CID 106855486
1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 63433124
(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 114369246

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan?
The IUPAC name of 2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan (CID 106855701) is 2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan?
The canonical SMILES for 2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan is COc1cc(Cl)c(C(Cl)c2ccoc2Br)cc1Cl.
What is the InChIKey of 2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan?
The InChIKey is VCPZZPNWXDCEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl3O2/c1-17-10-5-8(14)7(4-9(10)15)11(16)6-2-3-18-12(6)13/h2-5,11H,1H3.
What are the key properties of 2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan?
2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan has a molecular weight of 370.46 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan is sourced from PubChem (CID 106855701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).