bis(4-methylphenyl) carbonate;ethane

C17H20O3 — CID 145416039

IUPACbis(4-methylphenyl) carbonate;ethane
SMILESCC.Cc1ccc(OC(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C15H14O3.C2H6/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14;1-2/h3-10H,1-2H3;1-2H3
InChIKeyPQVXODRTLQUMTG-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.91
Rot. Bonds2

About bis(4-methylphenyl) carbonate;ethane

bis(4-methylphenyl) carbonate;ethane (PubChem CID 145416039) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is bis(4-methylphenyl) carbonate;ethane.

Molecular Properties

Compound Namebis(4-methylphenyl) carbonate;ethane
PubChem CID145416039
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Namebis(4-methylphenyl) carbonate;ethane
SMILESCC.Cc1ccc(OC(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C15H14O3.C2H6/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14;1-2/h3-10H,1-2H3;1-2H3
InChIKeyPQVXODRTLQUMTG-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(4-methylphenyl) carbonate;ethane 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

hydroxy (4-methylphenyl) carbonate
CID 142152558
bis(4-methylphenyl) butanedioate
CID 14740597
(4-methylphenyl) hydrogen carbonate
CID 19016637
(4-methylphenyl) acetate;zinc
CID 159589232
(4-methylphenyl) methylsulfanylformate
CID 14404355
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
(4-methylphenoxy)methanethioic S-acid;hydrochloride
CID 88842669
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
CID 161066269
(4-methylphenyl) 2-sulfanylethyl carbonate
CID 166767633
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl) carbonate;ethane?
The IUPAC name of bis(4-methylphenyl) carbonate;ethane (CID 145416039) is bis(4-methylphenyl) carbonate;ethane.
What is the SMILES notation for bis(4-methylphenyl) carbonate;ethane?
The canonical SMILES for bis(4-methylphenyl) carbonate;ethane is CC.Cc1ccc(OC(=O)Oc2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl) carbonate;ethane?
The InChIKey is PQVXODRTLQUMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.C2H6/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of bis(4-methylphenyl) carbonate;ethane?
bis(4-methylphenyl) carbonate;ethane has a molecular weight of 272.34 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl) carbonate;ethane is sourced from PubChem (CID 145416039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).