[3-(4-methylphenyl)phenyl]methyl acetate

C16H16O2 — CID 14468001

IUPAC[3-(4-methylphenyl)phenyl]methyl acetate
SMILESCC(=O)OCc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C16H16O2/c1-12-6-8-15(9-7-12)16-5-3-4-14(10-16)11-18-13(2)17/h3-10H,11H2,1-2H3
InChIKeyWONHPHQBIZYLRF-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.73
Rot. Bonds3

About [3-(4-methylphenyl)phenyl]methyl acetate

[3-(4-methylphenyl)phenyl]methyl acetate (PubChem CID 14468001) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [3-(4-methylphenyl)phenyl]methyl acetate.

Molecular Properties

Compound Name[3-(4-methylphenyl)phenyl]methyl acetate
PubChem CID14468001
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name[3-(4-methylphenyl)phenyl]methyl acetate
SMILESCC(=O)OCc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C16H16O2/c1-12-6-8-15(9-7-12)16-5-3-4-14(10-16)11-18-13(2)17/h3-10H,11H2,1-2H3
InChIKeyWONHPHQBIZYLRF-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)phenyl]methyl acetate?
The IUPAC name of [3-(4-methylphenyl)phenyl]methyl acetate (CID 14468001) is [3-(4-methylphenyl)phenyl]methyl acetate.
What is the SMILES notation for [3-(4-methylphenyl)phenyl]methyl acetate?
The canonical SMILES for [3-(4-methylphenyl)phenyl]methyl acetate is CC(=O)OCc1cccc(-c2ccc(C)cc2)c1.
What is the InChIKey of [3-(4-methylphenyl)phenyl]methyl acetate?
The InChIKey is WONHPHQBIZYLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-6-8-15(9-7-12)16-5-3-4-14(10-16)11-18-13(2)17/h3-10H,11H2,1-2H3.
What are the key properties of [3-(4-methylphenyl)phenyl]methyl acetate?
[3-(4-methylphenyl)phenyl]methyl acetate has a molecular weight of 240.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)phenyl]methyl acetate is sourced from PubChem (CID 14468001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).