[3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate

C15H14O3 — CID 151328847

IUPAC[3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate
SMILESCc1ccccc1-c1c(C)cccc1OC(=O)O
InChIInChI=1S/C15H14O3/c1-10-6-3-4-8-12(10)14-11(2)7-5-9-13(14)18-15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyOIAJFHWJZWOHPU-UHFFFAOYSA-N
MW242.27 g/mol
LogP4.03
Rot. Bonds2

About [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate

[3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate (PubChem CID 151328847) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate.

Molecular Properties

Compound Name[3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate
PubChem CID151328847
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name[3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate
SMILESCc1ccccc1-c1c(C)cccc1OC(=O)O
InChIInChI=1S/C15H14O3/c1-10-6-3-4-8-12(10)14-11(2)7-5-9-13(14)18-15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyOIAJFHWJZWOHPU-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate?
The IUPAC name of [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate (CID 151328847) is [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate.
What is the SMILES notation for [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate?
The canonical SMILES for [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate is Cc1ccccc1-c1c(C)cccc1OC(=O)O.
What is the InChIKey of [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate?
The InChIKey is OIAJFHWJZWOHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-6-3-4-8-12(10)14-11(2)7-5-9-13(14)18-15(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate?
[3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate has a molecular weight of 242.27 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate is sourced from PubChem (CID 151328847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).