[2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate

C15H14O3 — CID 150346527

IUPAC[2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate
SMILESCc1cc(C)cc(-c2ccccc2OC(=O)O)c1
InChIInChI=1S/C15H14O3/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-14(13)18-15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyGSVCVDXEHFAXIY-UHFFFAOYSA-N
MW242.27 g/mol
LogP4.03
Rot. Bonds2

About [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate

[2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate (PubChem CID 150346527) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate
PubChem CID150346527
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name[2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate
SMILESCc1cc(C)cc(-c2ccccc2OC(=O)O)c1
InChIInChI=1S/C15H14O3/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-14(13)18-15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyGSVCVDXEHFAXIY-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 [2-(3,5-dimethylphenyl)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

Related Compounds

(4-methyl-2-phenylphenyl) hydrogen carbonate
CID 22141660
[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate
CID 66629221
[2-(3-methylphenyl)phenyl] 2-methylpropanoate
CID 170389362
[3-methyl-2-(2-methylphenyl)phenyl] hydrogen carbonate
CID 151328847
[2-(4-nitrophenyl)phenyl] hydrogen carbonate
CID 54291059
[2-[4-(2-carboxyoxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]phenyl] hydrogen carbonate
CID 91597978
(2,4-diphenylphenyl) hydrogen carbonate
CID 121292233
biphenylen-1-yl hydrogen carbonate
CID 174719796
[3-(2-tert-butylphenyl)-2-methylphenyl] hydrogen carbonate
CID 151172342
[4-chloro-2-(4-methylphenyl)phenyl] hydrogen carbonate
CID 54216308
3-(3,5-dimethylphenyl)-2-methylbenzoic acid
CID 53225284
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate?
The IUPAC name of [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate (CID 150346527) is [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate.
What is the SMILES notation for [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate?
The canonical SMILES for [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate is Cc1cc(C)cc(-c2ccccc2OC(=O)O)c1.
What is the InChIKey of [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate?
The InChIKey is GSVCVDXEHFAXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-7-11(2)9-12(8-10)13-5-3-4-6-14(13)18-15(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate?
[2-(3,5-dimethylphenyl)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 [2-(3,5-dimethylphenyl)phenyl] hydrogen carbonate is sourced from PubChem (CID 150346527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).