1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene

C15H14BrClO — CID 63543875

IUPAC1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
SMILESCOc1ccccc1CC(Cl)c1ccccc1Br
InChIInChI=1S/C15H14BrClO/c1-18-15-9-5-2-6-11(15)10-14(17)12-7-3-4-8-13(12)16/h2-9,14H,10H2,1H3
InChIKeyXJKUHIRUSQECMW-UHFFFAOYSA-N
MW325.63 g/mol
LogP4.98
Rot. Bonds4

About 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene

1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene (PubChem CID 63543875) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
PubChem CID63543875
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
SMILESCOc1ccccc1CC(Cl)c1ccccc1Br
InChIInChI=1S/C15H14BrClO/c1-18-15-9-5-2-6-11(15)10-14(17)12-7-3-4-8-13(12)16/h2-9,14H,10H2,1H3
InChIKeyXJKUHIRUSQECMW-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.63
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63542139
3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
CID 102836398
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63018528
3-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzothiophene
CID 63433316
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
CID 61084783
1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene
CID 63016287
4-bromo-1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methoxybenzene
CID 115370094
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55224263

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene (CID 63543875) is 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene is COc1ccccc1CC(Cl)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene?
The InChIKey is XJKUHIRUSQECMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-18-15-9-5-2-6-11(15)10-14(17)12-7-3-4-8-13(12)16/h2-9,14H,10H2,1H3.
What are the key properties of 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene?
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene has a molecular weight of 325.63 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 63543875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).