4-Methylbiphenyl

C13H12 — CID 12566

IUPAC1-methyl-4-phenylbenzene
SMILESCC1=CC=C(C=C1)C2=CC=CC=C2
InChIInChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyZZLCFHIKESPLTH-UHFFFAOYSA-N
MW168.23 g/mol
LogP4.60
Rot. Bonds1

About 4-Methylbiphenyl

4-Methylbiphenyl (PubChem CID 12566) has the molecular formula C13H12 and a molecular weight of 168.23 g/mol. Its IUPAC name is 1-methyl-4-phenylbenzene.

Molecular Properties

Compound Name4-Methylbiphenyl
PubChem CID12566
Molecular FormulaC13H12
Molecular Weight168.23 g/mol
Exact Mass168.09
IUPAC Name1-methyl-4-phenylbenzene
SMILESCC1=CC=C(C=C1)C2=CC=CC=C2
InChIInChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyZZLCFHIKESPLTH-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
P-Cymene
CID 7463

Frequently Asked Questions

What is the IUPAC name of 4-Methylbiphenyl?
The IUPAC name of 4-Methylbiphenyl (CID 12566) is 1-methyl-4-phenylbenzene.
What is the SMILES notation for 4-Methylbiphenyl?
The canonical SMILES for 4-Methylbiphenyl is CC1=CC=C(C=C1)C2=CC=CC=C2.
What is the InChIKey of 4-Methylbiphenyl?
The InChIKey is ZZLCFHIKESPLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 4-Methylbiphenyl?
4-Methylbiphenyl has a molecular weight of 168.23 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methylbiphenyl is sourced from PubChem (CID 12566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).