1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene

C15H11BrCl3FO — CID 63430919

IUPAC1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene
SMILESCOc1c(Br)cc(Cl)cc1C(Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11BrCl3FO/c1-21-15-10(5-8(17)6-11(15)16)13(19)7-9-12(18)3-2-4-14(9)20/h2-6,13H,7H2,1H3
InChIKeyVUUZXNMXCZRRRH-UHFFFAOYSA-N
MW412.51 g/mol
LogP6.43
Rot. Bonds4

About 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene

1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene (PubChem CID 63430919) has the molecular formula C15H11BrCl3FO and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene
PubChem CID63430919
Molecular FormulaC15H11BrCl3FO
Molecular Weight412.51 g/mol
Exact Mass409.90
IUPAC Name1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene
SMILESCOc1c(Br)cc(Cl)cc1C(Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11BrCl3FO/c1-21-15-10(5-8(17)6-11(15)16)13(19)7-9-12(18)3-2-4-14(9)20/h2-6,13H,7H2,1H3
InChIKeyVUUZXNMXCZRRRH-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene 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

1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
2-bromo-1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-4-fluorobenzene
CID 55225389
1-bromo-3-[2-(4-bromophenyl)-1-chloroethyl]-5-chloro-2-methoxybenzene
CID 63430608
1-bromo-5-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methoxybenzene
CID 63431203
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
1-chloro-2-[2-chloro-2-(2-fluoro-6-methoxyphenyl)ethyl]-3-fluorobenzene
CID 65433307
1-chloro-2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63429035
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 43100750
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
CID 63427922
1-(3-bromo-5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 43480353
1-chloro-2-[2-chloro-2-[2-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518476
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene?
The IUPAC name of 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene (CID 63430919) is 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene.
What is the SMILES notation for 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene?
The canonical SMILES for 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene is COc1c(Br)cc(Cl)cc1C(Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene?
The InChIKey is VUUZXNMXCZRRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl3FO/c1-21-15-10(5-8(17)6-11(15)16)13(19)7-9-12(18)3-2-4-14(9)20/h2-6,13H,7H2,1H3.
What are the key properties of 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene?
1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene has a molecular weight of 412.51 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-methoxybenzene is sourced from PubChem (CID 63430919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).