Benzyl p-tolyl ether

C14H14O — CID 70036

IUPAC1-methyl-4-phenylmethoxybenzene
SMILESCC1=CC=C(C=C1)OCC2=CC=CC=C2
InChIInChI=1S/C14H14O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyCHBXCQHBCCLICW-UHFFFAOYSA-N
MW198.26 g/mol
LogP4.20
Rot. Bonds3

About Benzyl p-tolyl ether

Benzyl p-tolyl ether (PubChem CID 70036) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-methyl-4-phenylmethoxybenzene.

Molecular Properties

Compound NameBenzyl p-tolyl ether
PubChem CID70036
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-methyl-4-phenylmethoxybenzene
SMILESCC1=CC=C(C=C1)OCC2=CC=CC=C2
InChIInChI=1S/C14H14O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyCHBXCQHBCCLICW-UHFFFAOYSA-N
XLogP4.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity164

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Monobenzone
CID 7638
Diphenyl Ether
CID 7583
Etofenprox
CID 71245
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
Yangonin
CID 5281575
4-Methylphenyl acetate
CID 8797
3-Phenoxybenzyl alcohol
CID 26295
4-Methoxybenzyl alcohol
CID 7738
4-Methylanisole
CID 7731
Xanthene
CID 7107

Frequently Asked Questions

What is the IUPAC name of Benzyl p-tolyl ether?
The IUPAC name of Benzyl p-tolyl ether (CID 70036) is 1-methyl-4-phenylmethoxybenzene.
What is the SMILES notation for Benzyl p-tolyl ether?
The canonical SMILES for Benzyl p-tolyl ether is CC1=CC=C(C=C1)OCC2=CC=CC=C2.
What is the InChIKey of Benzyl p-tolyl ether?
The InChIKey is CHBXCQHBCCLICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of Benzyl p-tolyl ether?
Benzyl p-tolyl ether has a molecular weight of 198.26 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Benzyl p-tolyl ether is sourced from PubChem (CID 70036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).