4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene

C14H12BrClO2 — CID 59428353

IUPAC4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H12BrClO2/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9H2,1H3
InChIKeyAYNPLBSXWZXPJS-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.69
Rot. Bonds4

About 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene

4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 59428353) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
PubChem CID59428353
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H12BrClO2/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9H2,1H3
InChIKeyAYNPLBSXWZXPJS-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
CID 65490138
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
(1R)-1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932320
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1287772
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126118057
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292866
2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 46828930
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene
CID 152568718
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene (CID 59428353) is 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is AYNPLBSXWZXPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene?
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 327.61 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 59428353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).