2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene

C17H18BrClO2 — CID 63427270

IUPAC2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene
SMILESCOc1ccc(CCC(Cl)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C17H18BrClO2/c1-20-14-7-3-12(4-8-14)5-9-16(19)13-6-10-17(21-2)15(18)11-13/h3-4,6-8,10-11,16H,5,9H2,1-2H3
InChIKeyLOFLQZAYHCZKBI-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.38
Rot. Bonds6

About 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene

2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene (PubChem CID 63427270) has the molecular formula C17H18BrClO2 and a molecular weight of 369.69 g/mol. Its IUPAC name is 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene
PubChem CID63427270
Molecular FormulaC17H18BrClO2
Molecular Weight369.69 g/mol
Exact Mass368.02
IUPAC Name2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene
SMILESCOc1ccc(CCC(Cl)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C17H18BrClO2/c1-20-14-7-3-12(4-8-14)5-9-16(19)13-6-10-17(21-2)15(18)11-13/h3-4,6-8,10-11,16H,5,9H2,1-2H3
InChIKeyLOFLQZAYHCZKBI-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.38
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-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]benzene
CID 55199636
2-bromo-4-(3-chloro-3-phenylpropyl)-1-methoxybenzene
CID 63460541
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 55574875
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-methoxybenzene
CID 55200198
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]naphthalene
CID 63427689
2-chloro-1-[1-chloro-3-(4-methoxyphenyl)propyl]-4-methoxybenzene
CID 63434589
2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 60673191
2-[3-(3-bromo-4-methoxyphenyl)-3-chloropropyl]oxolane
CID 65158142
(2S)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9001411
1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4,5-trifluorobenzene
CID 103303705
1-(3-bromo-4-methoxyphenyl)heptane-3,4-diol
CID 83926163

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene (CID 63427270) is 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene is COc1ccc(CCC(Cl)c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene?
The InChIKey is LOFLQZAYHCZKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO2/c1-20-14-7-3-12(4-8-14)5-9-16(19)13-6-10-17(21-2)15(18)11-13/h3-4,6-8,10-11,16H,5,9H2,1-2H3.
What are the key properties of 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene?
2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene has a molecular weight of 369.69 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene is sourced from PubChem (CID 63427270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).