2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene

C15H15BrO3 — CID 142468991

IUPAC2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2cccc(OC)c2Br)cc1
InChIInChI=1S/C15H15BrO3/c1-17-12-8-6-11(7-9-12)10-19-14-5-3-4-13(18-2)15(14)16/h3-9H,10H2,1-2H3
InChIKeyFJAPXQVCJONFSV-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.05
Rot. Bonds5

About 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene

2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 142468991) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
PubChem CID142468991
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2cccc(OC)c2Br)cc1
InChIInChI=1S/C15H15BrO3/c1-17-12-8-6-11(7-9-12)10-19-14-5-3-4-13(18-2)15(14)16/h3-9H,10H2,1-2H3
InChIKeyFJAPXQVCJONFSV-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene
CID 152568718
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
2-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3,3-bis(methylsulfanyl)prop-1-en-1-one
CID 87395896
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253777

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene (CID 142468991) is 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2cccc(OC)c2Br)cc1.
What is the InChIKey of 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is FJAPXQVCJONFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-17-12-8-6-11(7-9-12)10-19-14-5-3-4-13(18-2)15(14)16/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene?
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 323.19 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 142468991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).