1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene

C20H17BrO3 — CID 141409053

IUPAC1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cc(OC)ccc2Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C20H17BrO3/c1-22-16-7-3-14(4-8-16)19-13-18(23-2)11-12-20(19)24-17-9-5-15(21)6-10-17/h3-13H,1-2H3
InChIKeyPIAXWFOJTOIJLQ-UHFFFAOYSA-N
MW385.26 g/mol
LogP5.93
Rot. Bonds5

About 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene

1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene (PubChem CID 141409053) has the molecular formula C20H17BrO3 and a molecular weight of 385.26 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
PubChem CID141409053
Molecular FormulaC20H17BrO3
Molecular Weight385.26 g/mol
Exact Mass384.04
IUPAC Name1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cc(OC)ccc2Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C20H17BrO3/c1-22-16-7-3-14(4-8-16)19-13-18(23-2)11-12-20(19)24-17-9-5-15(21)6-10-17/h3-13H,1-2H3
InChIKeyPIAXWFOJTOIJLQ-UHFFFAOYSA-N
XLogP5.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.26
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)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

2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2-(4-bromophenyl)-1-methoxy-4-methylbenzene
CID 83665556
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
2-methoxy-6-(2-phenoxyphenyl)naphthalene
CID 173353712
3-(4-bromophenyl)-6-methoxy-1-benzothiophene
CID 15422641
2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
CID 69436393
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
3-(4-bromophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 86730652

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene?
The IUPAC name of 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene (CID 141409053) is 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene?
The canonical SMILES for 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene is COc1ccc(-c2cc(OC)ccc2Oc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene?
The InChIKey is PIAXWFOJTOIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO3/c1-22-16-7-3-14(4-8-16)19-13-18(23-2)11-12-20(19)24-17-9-5-15(21)6-10-17/h3-13H,1-2H3.
What are the key properties of 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene?
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene has a molecular weight of 385.26 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene is sourced from PubChem (CID 141409053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).