(3-methylphenyl)methyl 3-methylbenzoate

C16H16O2 — CID 11390814

IUPAC(3-methylphenyl)methyl 3-methylbenzoate
SMILESCc1cccc(COC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C16H16O2/c1-12-5-3-7-14(9-12)11-18-16(17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3
InChIKeyVGHPXBXYVQDCBF-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.66
Rot. Bonds3

About (3-methylphenyl)methyl 3-methylbenzoate

(3-methylphenyl)methyl 3-methylbenzoate (PubChem CID 11390814) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3-methylphenyl)methyl 3-methylbenzoate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 3-methylbenzoate
PubChem CID11390814
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(3-methylphenyl)methyl 3-methylbenzoate
SMILESCc1cccc(COC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C16H16O2/c1-12-5-3-7-14(9-12)11-18-16(17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3
InChIKeyVGHPXBXYVQDCBF-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 3-methylbenzoate?
The IUPAC name of (3-methylphenyl)methyl 3-methylbenzoate (CID 11390814) is (3-methylphenyl)methyl 3-methylbenzoate.
What is the SMILES notation for (3-methylphenyl)methyl 3-methylbenzoate?
The canonical SMILES for (3-methylphenyl)methyl 3-methylbenzoate is Cc1cccc(COC(=O)c2cccc(C)c2)c1.
What is the InChIKey of (3-methylphenyl)methyl 3-methylbenzoate?
The InChIKey is VGHPXBXYVQDCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-5-3-7-14(9-12)11-18-16(17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3.
What are the key properties of (3-methylphenyl)methyl 3-methylbenzoate?
(3-methylphenyl)methyl 3-methylbenzoate has a molecular weight of 240.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 3-methylbenzoate is sourced from PubChem (CID 11390814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).