(4-methylphenyl)methyl 3-phenylpropyl carbonate

C18H20O3 — CID 22889315

IUPAC(4-methylphenyl)methyl 3-phenylpropyl carbonate
SMILESCc1ccc(COC(=O)OCCCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-15-9-11-17(12-10-15)14-21-18(19)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyAOLZPXCCLYBVES-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.28
Rot. Bonds6

About (4-methylphenyl)methyl 3-phenylpropyl carbonate

(4-methylphenyl)methyl 3-phenylpropyl carbonate (PubChem CID 22889315) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-methylphenyl)methyl 3-phenylpropyl carbonate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 3-phenylpropyl carbonate
PubChem CID22889315
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4-methylphenyl)methyl 3-phenylpropyl carbonate
SMILESCc1ccc(COC(=O)OCCCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-15-9-11-17(12-10-15)14-21-18(19)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyAOLZPXCCLYBVES-UHFFFAOYSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 3-phenylpropyl carbonate?
The IUPAC name of (4-methylphenyl)methyl 3-phenylpropyl carbonate (CID 22889315) is (4-methylphenyl)methyl 3-phenylpropyl carbonate.
What is the SMILES notation for (4-methylphenyl)methyl 3-phenylpropyl carbonate?
The canonical SMILES for (4-methylphenyl)methyl 3-phenylpropyl carbonate is Cc1ccc(COC(=O)OCCCc2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 3-phenylpropyl carbonate?
The InChIKey is AOLZPXCCLYBVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-15-9-11-17(12-10-15)14-21-18(19)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3.
What are the key properties of (4-methylphenyl)methyl 3-phenylpropyl carbonate?
(4-methylphenyl)methyl 3-phenylpropyl carbonate has a molecular weight of 284.36 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 3-phenylpropyl carbonate is sourced from PubChem (CID 22889315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).