bis(2,3-dimethylphenyl) carbonate

C17H18O3 — CID 23435013

IUPACbis(2,3-dimethylphenyl) carbonate
SMILESCc1cccc(OC(=O)Oc2cccc(C)c2C)c1C
InChIInChI=1S/C17H18O3/c1-11-7-5-9-15(13(11)3)19-17(18)20-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3
InChIKeyRHATVZBALBUXBY-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.50
Rot. Bonds2

About bis(2,3-dimethylphenyl) carbonate

bis(2,3-dimethylphenyl) carbonate (PubChem CID 23435013) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is bis(2,3-dimethylphenyl) carbonate.

Molecular Properties

Compound Namebis(2,3-dimethylphenyl) carbonate
PubChem CID23435013
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namebis(2,3-dimethylphenyl) carbonate
SMILESCc1cccc(OC(=O)Oc2cccc(C)c2C)c1C
InChIInChI=1S/C17H18O3/c1-11-7-5-9-15(13(11)3)19-17(18)20-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3
InChIKeyRHATVZBALBUXBY-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(2,3-dimethylphenyl) 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

(2,3-dimethylphenyl) (2-propylphenyl) carbonate
CID 67179085
4-O-(2,3-dimethylphenyl) 1-O-methyl butanedioate
CID 94263255
bis(2,3-dimethylphenyl) decanedioate
CID 91711524
(2,3-dimethylphenyl) N-ethylcarbamate
CID 127545689
4-O-(2,3-dimethylphenyl) 1-O-(2-fluorophenyl) butanedioate
CID 91733507
(2,3-dimethylphenyl) 4-fluorobenzoate
CID 837549
bis(2,3-dimethylphenyl) bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 142747983
(2,3-dimethylphenyl) 4-phenylbenzoate
CID 1228166
(2,3-dimethylphenyl) 4-tert-butylbenzoate
CID 4927352
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
(2,3-dimethylphenyl) 7-phenylheptyl carbonate
CID 67251149
1-O-(2,3-dimethylphenyl) 4-O-(2,4,6-trichlorophenyl) butanedioate
CID 91733502

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylphenyl) carbonate?
The IUPAC name of bis(2,3-dimethylphenyl) carbonate (CID 23435013) is bis(2,3-dimethylphenyl) carbonate.
What is the SMILES notation for bis(2,3-dimethylphenyl) carbonate?
The canonical SMILES for bis(2,3-dimethylphenyl) carbonate is Cc1cccc(OC(=O)Oc2cccc(C)c2C)c1C.
What is the InChIKey of bis(2,3-dimethylphenyl) carbonate?
The InChIKey is RHATVZBALBUXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-7-5-9-15(13(11)3)19-17(18)20-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3.
What are the key properties of bis(2,3-dimethylphenyl) carbonate?
bis(2,3-dimethylphenyl) carbonate has a molecular weight of 270.33 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylphenyl) carbonate is sourced from PubChem (CID 23435013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).