2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan

C13H12BrClO3 — CID 61086394

IUPAC2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
SMILESCOc1ccc(C(Cl)c2ccc(Br)o2)c(OC)c1
InChIInChI=1S/C13H12BrClO3/c1-16-8-3-4-9(11(7-8)17-2)13(15)10-5-6-12(14)18-10/h3-7,13H,1-2H3
InChIKeyNDQHGGQGEHFSJY-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.39
Rot. Bonds4

About 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan

2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan (PubChem CID 61086394) has the molecular formula C13H12BrClO3 and a molecular weight of 331.59 g/mol. Its IUPAC name is 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
PubChem CID61086394
Molecular FormulaC13H12BrClO3
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Name2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
SMILESCOc1ccc(C(Cl)c2ccc(Br)o2)c(OC)c1
InChIInChI=1S/C13H12BrClO3/c1-16-8-3-4-9(11(7-8)17-2)13(15)10-5-6-12(14)18-10/h3-7,13H,1-2H3
InChIKeyNDQHGGQGEHFSJY-UHFFFAOYSA-N
XLogP4.39
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
1-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 60787977
1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
CID 63429476
2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
CID 63443265
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan
CID 61081362
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
1-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043
1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
CID 103514415
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan?
The IUPAC name of 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan (CID 61086394) is 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan?
The canonical SMILES for 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan is COc1ccc(C(Cl)c2ccc(Br)o2)c(OC)c1.
What is the InChIKey of 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan?
The InChIKey is NDQHGGQGEHFSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClO3/c1-16-8-3-4-9(11(7-8)17-2)13(15)10-5-6-12(14)18-10/h3-7,13H,1-2H3.
What are the key properties of 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan?
2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan has a molecular weight of 331.59 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan is sourced from PubChem (CID 61086394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).