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

C14H13Br — CID 67156138

IUPAC1-bromo-4-[(3-methylphenyl)methyl]benzene
SMILESCc1cccc(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C14H13Br/c1-11-3-2-4-13(9-11)10-12-5-7-14(15)8-6-12/h2-9H,10H2,1H3
InChIKeyGFGVXDZTFSNKAU-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.35
Rot. Bonds2

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

1-bromo-4-[(3-methylphenyl)methyl]benzene (PubChem CID 67156138) has the molecular formula C14H13Br and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-bromo-4-[(3-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(3-methylphenyl)methyl]benzene
PubChem CID67156138
Molecular FormulaC14H13Br
Molecular Weight261.16 g/mol
Exact Mass260.02
IUPAC Name1-bromo-4-[(3-methylphenyl)methyl]benzene
SMILESCc1cccc(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C14H13Br/c1-11-3-2-4-13(9-11)10-12-5-7-14(15)8-6-12/h2-9H,10H2,1H3
InChIKeyGFGVXDZTFSNKAU-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[9-(3-methylphenyl)nonyl]benzene
CID 123837284
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium
CID 161347564
N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090749
CID 59201849
CID 59201849
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3-methylphenyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[(3-methylphenyl)methyl]benzene (CID 67156138) is 1-bromo-4-[(3-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[(3-methylphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[(3-methylphenyl)methyl]benzene is Cc1cccc(Cc2ccc(Br)cc2)c1.
What is the InChIKey of 1-bromo-4-[(3-methylphenyl)methyl]benzene?
The InChIKey is GFGVXDZTFSNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br/c1-11-3-2-4-13(9-11)10-12-5-7-14(15)8-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-bromo-4-[(3-methylphenyl)methyl]benzene?
1-bromo-4-[(3-methylphenyl)methyl]benzene has a molecular weight of 261.16 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3-methylphenyl)methyl]benzene is sourced from PubChem (CID 67156138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).