2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene

C15H15BrO3 — CID 6457254

IUPAC2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1OCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrO3/c1-17-13-4-3-5-14(18-2)15(13)19-10-11-6-8-12(16)9-7-11/h3-9H,10H2,1-2H3
InChIKeyGULVKCJNCPOLFY-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.05
Rot. Bonds5

About 2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene

2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene (PubChem CID 6457254) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
PubChem CID6457254
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1OCc1ccc(Br)cc1
InChIInChI=1S/C15H15BrO3/c1-17-13-4-3-5-14(18-2)15(13)19-10-11-6-8-12(16)9-7-11/h3-9H,10H2,1-2H3
InChIKeyGULVKCJNCPOLFY-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

1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
1-[4-[(2,6-dimethoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62450181
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
CID 104637856
2-bromo-5-methoxy-1-phenylmethoxynaphthalene
CID 10904008
4-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 51057927
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
CID 142468991
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene (CID 6457254) is 2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene is COc1cccc(OC)c1OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene?
The InChIKey is GULVKCJNCPOLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-17-13-4-3-5-14(18-2)15(13)19-10-11-6-8-12(16)9-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene?
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene 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-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene is sourced from PubChem (CID 6457254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).