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

C15H15BrO3 — CID 60666586

IUPAC4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
SMILESCOc1cccc(OCc2cc(Br)ccc2OC)c1
InChIInChI=1S/C15H15BrO3/c1-17-13-4-3-5-14(9-13)19-10-11-8-12(16)6-7-15(11)18-2/h3-9H,10H2,1-2H3
InChIKeyUIZFRCKFENCQPN-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.05
Rot. Bonds5

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

4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene (PubChem CID 60666586) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
PubChem CID60666586
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
SMILESCOc1cccc(OCc2cc(Br)ccc2OC)c1
InChIInChI=1S/C15H15BrO3/c1-17-13-4-3-5-14(9-13)19-10-11-8-12(16)6-7-15(11)18-2/h3-9H,10H2,1-2H3
InChIKeyUIZFRCKFENCQPN-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

Analyze 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 55399315
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
CID 63458388
3-[(5-bromo-2-methoxyphenyl)methoxy]-N-cyclopropylbenzamide
CID 55864621
4-bromo-2-methoxy-1-(phenoxymethyl)benzene
CID 117219523
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
CID 43141621
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096189
4-bromo-2-[(4-butan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 107667675
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene?
The IUPAC name of 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene (CID 60666586) is 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene.
What is the SMILES notation for 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene?
The canonical SMILES for 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene is COc1cccc(OCc2cc(Br)ccc2OC)c1.
What is the InChIKey of 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene?
The InChIKey is UIZFRCKFENCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-17-13-4-3-5-14(9-13)19-10-11-8-12(16)6-7-15(11)18-2/h3-9H,10H2,1-2H3.
What are the key properties of 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene?
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]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 4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene is sourced from PubChem (CID 60666586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).