1-benzyl-4-methoxybenzene

C14H14O — CID 13264

IUPAC1-benzyl-4-methoxybenzene
SMILESCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyGQLYCRTUQGSDSM-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.29
Rot. Bonds3

About 1-benzyl-4-methoxybenzene

1-benzyl-4-methoxybenzene (PubChem CID 13264) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-benzyl-4-methoxybenzene.

Molecular Properties

Compound Name1-benzyl-4-methoxybenzene
PubChem CID13264
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-benzyl-4-methoxybenzene
SMILESCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyGQLYCRTUQGSDSM-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-4-methoxybenzene 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

Anethole
CID 637563
Methyleugenol
CID 7127
Estragole
CID 8815
Methoxychlor
CID 4115
Chlorotrianisene
CID 11289
Yangonin
CID 5281575
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
4-Methoxybenzyl alcohol
CID 7738
4-Methylanisole
CID 7731
2-Methoxynaphthalene
CID 7119
Anisylacetone
CID 61007
4-Methoxybenzyl formate
CID 61054

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxybenzene?
The IUPAC name of 1-benzyl-4-methoxybenzene (CID 13264) is 1-benzyl-4-methoxybenzene.
What is the SMILES notation for 1-benzyl-4-methoxybenzene?
The canonical SMILES for 1-benzyl-4-methoxybenzene is COc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-methoxybenzene?
The InChIKey is GQLYCRTUQGSDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-4-methoxybenzene?
1-benzyl-4-methoxybenzene has a molecular weight of 198.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxybenzene is sourced from PubChem (CID 13264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).