1-bromo-2-[(2-methoxyphenyl)methyl]benzene

C14H13BrO — CID 165410095

IUPAC1-bromo-2-[(2-methoxyphenyl)methyl]benzene
SMILESCOc1ccccc1Cc1ccccc1Br
InChIInChI=1S/C14H13BrO/c1-16-14-9-5-3-7-12(14)10-11-6-2-4-8-13(11)15/h2-9H,10H2,1H3
InChIKeyOERNXJDAYZRLGG-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.05
Rot. Bonds3

About 1-bromo-2-[(2-methoxyphenyl)methyl]benzene

1-bromo-2-[(2-methoxyphenyl)methyl]benzene (PubChem CID 165410095) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-bromo-2-[(2-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(2-methoxyphenyl)methyl]benzene
PubChem CID165410095
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-bromo-2-[(2-methoxyphenyl)methyl]benzene
SMILESCOc1ccccc1Cc1ccccc1Br
InChIInChI=1S/C14H13BrO/c1-16-14-9-5-3-7-12(14)10-11-6-2-4-8-13(11)15/h2-9H,10H2,1H3
InChIKeyOERNXJDAYZRLGG-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-2-[(2-methoxyphenyl)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

1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
[2-[(2-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335207
4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106715
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
1-bromo-2-methoxybenzene;ethane
CID 91096433
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
3-methoxy-2-[(2-methoxyphenyl)methyl]aniline
CID 13379479
1,2-dibromo-3-methoxybenzene
CID 11958056
(2-bromophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776508
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
4-chloro-2-[(2-methoxyphenyl)methyl]aniline
CID 68567469
(2-(111C)methoxyphenyl)methanol
CID 59897789

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-methoxyphenyl)methyl]benzene?
The IUPAC name of 1-bromo-2-[(2-methoxyphenyl)methyl]benzene (CID 165410095) is 1-bromo-2-[(2-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-[(2-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-[(2-methoxyphenyl)methyl]benzene is COc1ccccc1Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(2-methoxyphenyl)methyl]benzene?
The InChIKey is OERNXJDAYZRLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-16-14-9-5-3-7-12(14)10-11-6-2-4-8-13(11)15/h2-9H,10H2,1H3.
What are the key properties of 1-bromo-2-[(2-methoxyphenyl)methyl]benzene?
1-bromo-2-[(2-methoxyphenyl)methyl]benzene has a molecular weight of 277.16 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 165410095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).