1-bromo-3-[(4-ethoxyphenyl)methyl]benzene

C15H15BrO — CID 46205787

IUPAC1-bromo-3-[(4-ethoxyphenyl)methyl]benzene
SMILESCCOc1ccc(Cc2cccc(Br)c2)cc1
InChIInChI=1S/C15H15BrO/c1-2-17-15-8-6-12(7-9-15)10-13-4-3-5-14(16)11-13/h3-9,11H,2,10H2,1H3
InChIKeyNZKWIAVSCANBMU-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.44
Rot. Bonds4

About 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene

1-bromo-3-[(4-ethoxyphenyl)methyl]benzene (PubChem CID 46205787) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(4-ethoxyphenyl)methyl]benzene
PubChem CID46205787
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-bromo-3-[(4-ethoxyphenyl)methyl]benzene
SMILESCCOc1ccc(Cc2cccc(Br)c2)cc1
InChIInChI=1S/C15H15BrO/c1-2-17-15-8-6-12(7-9-15)10-13-4-3-5-14(16)11-13/h3-9,11H,2,10H2,1H3
InChIKeyNZKWIAVSCANBMU-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-3-[(4-ethoxyphenyl)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

[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
1-[(3-bromophenyl)methyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884600
1-bromo-3-ethoxybenzene;ethane
CID 143900364
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
[2-(3-bromophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105202710
1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884611
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene?
The IUPAC name of 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene (CID 46205787) is 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene is CCOc1ccc(Cc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene?
The InChIKey is NZKWIAVSCANBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-2-17-15-8-6-12(7-9-15)10-13-4-3-5-14(16)11-13/h3-9,11H,2,10H2,1H3.
What are the key properties of 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene?
1-bromo-3-[(4-ethoxyphenyl)methyl]benzene has a molecular weight of 291.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(4-ethoxyphenyl)methyl]benzene is sourced from PubChem (CID 46205787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).