[2-(4-methylphenyl)phenyl] formate

C14H12O2 — CID 1392745

IUPAC[2-(4-methylphenyl)phenyl] formate
SMILESCc1ccc(-c2ccccc2OC=O)cc1
InChIInChI=1S/C14H12O2/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)16-10-15/h2-10H,1H3
InChIKeyRMNYSZJRCXDPEF-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.20
Rot. Bonds3

About [2-(4-methylphenyl)phenyl] formate

[2-(4-methylphenyl)phenyl] formate (PubChem CID 1392745) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is [2-(4-methylphenyl)phenyl] formate.

Molecular Properties

Compound Name[2-(4-methylphenyl)phenyl] formate
PubChem CID1392745
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name[2-(4-methylphenyl)phenyl] formate
SMILESCc1ccc(-c2ccccc2OC=O)cc1
InChIInChI=1S/C14H12O2/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)16-10-15/h2-10H,1H3
InChIKeyRMNYSZJRCXDPEF-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)phenyl] formate?
The IUPAC name of [2-(4-methylphenyl)phenyl] formate (CID 1392745) is [2-(4-methylphenyl)phenyl] formate.
What is the SMILES notation for [2-(4-methylphenyl)phenyl] formate?
The canonical SMILES for [2-(4-methylphenyl)phenyl] formate is Cc1ccc(-c2ccccc2OC=O)cc1.
What is the InChIKey of [2-(4-methylphenyl)phenyl] formate?
The InChIKey is RMNYSZJRCXDPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)16-10-15/h2-10H,1H3.
What are the key properties of [2-(4-methylphenyl)phenyl] formate?
[2-(4-methylphenyl)phenyl] formate has a molecular weight of 212.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)phenyl] formate is sourced from PubChem (CID 1392745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).