benzyl (4-methylphenyl) carbonate

C15H14O3 — CID 118690287

IUPACbenzyl (4-methylphenyl) carbonate
SMILESCc1ccc(OC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-12-7-9-14(10-8-12)18-15(16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyKPQVFUHEZFCAKZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.71
Rot. Bonds3

About benzyl (4-methylphenyl) carbonate

benzyl (4-methylphenyl) carbonate (PubChem CID 118690287) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is benzyl (4-methylphenyl) carbonate.

Molecular Properties

Compound Namebenzyl (4-methylphenyl) carbonate
PubChem CID118690287
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namebenzyl (4-methylphenyl) carbonate
SMILESCc1ccc(OC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-12-7-9-14(10-8-12)18-15(16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyKPQVFUHEZFCAKZ-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl (4-methylphenyl) 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-methoxyphenyl)methyl phenyl carbonate
CID 3084543
benzyl N-(4-methylphenoxy)carbonyliminocarbamate
CID 140646264
benzyl (4-formylphenyl) carbonate
CID 11334337
methyl-[(2-methylphenyl)methyl]-(4-phenylmethoxycarbonyloxyphenyl)sulfanium
CID 142301408
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate
CID 158116002
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl carbonochloridate;toluene
CID 86663382
bis(4-methylphenyl) carbonate;ethane
CID 145416039
(4-methylphenyl) N-benzylcarbamate
CID 14292552
(3,5-ditert-butylphenyl)methyl phenyl carbonate
CID 13267560
(4-methylphenyl) 2-sulfanylethyl carbonate
CID 166767633

Frequently Asked Questions

What is the IUPAC name of benzyl (4-methylphenyl) carbonate?
The IUPAC name of benzyl (4-methylphenyl) carbonate (CID 118690287) is benzyl (4-methylphenyl) carbonate.
What is the SMILES notation for benzyl (4-methylphenyl) carbonate?
The canonical SMILES for benzyl (4-methylphenyl) carbonate is Cc1ccc(OC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl (4-methylphenyl) carbonate?
The InChIKey is KPQVFUHEZFCAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-12-7-9-14(10-8-12)18-15(16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of benzyl (4-methylphenyl) carbonate?
benzyl (4-methylphenyl) carbonate has a molecular weight of 242.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4-methylphenyl) carbonate is sourced from PubChem (CID 118690287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).