[(S)-(4-methylphenyl)-phenylmethyl] acetate

C16H16O2 — CID 40534934

IUPAC[(S)-(4-methylphenyl)-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-12-8-10-15(11-9-12)16(18-13(2)17)14-6-4-3-5-7-14/h3-11,16H,1-2H3/t16-/m0/s1
InChIKeyBGOPUTDJDHCQTB-INIZCTEOSA-N
MW240.30 g/mol
LogP3.65
Rot. Bonds3

About [(S)-(4-methylphenyl)-phenylmethyl] acetate

[(S)-(4-methylphenyl)-phenylmethyl] acetate (PubChem CID 40534934) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [(S)-(4-methylphenyl)-phenylmethyl] acetate.

Molecular Properties

Compound Name[(S)-(4-methylphenyl)-phenylmethyl] acetate
PubChem CID40534934
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name[(S)-(4-methylphenyl)-phenylmethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-12-8-10-15(11-9-12)16(18-13(2)17)14-6-4-3-5-7-14/h3-11,16H,1-2H3/t16-/m0/s1
InChIKeyBGOPUTDJDHCQTB-INIZCTEOSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(S)-(4-methylphenyl)-phenylmethyl] acetate?
The IUPAC name of [(S)-(4-methylphenyl)-phenylmethyl] acetate (CID 40534934) is [(S)-(4-methylphenyl)-phenylmethyl] acetate.
What is the SMILES notation for [(S)-(4-methylphenyl)-phenylmethyl] acetate?
The canonical SMILES for [(S)-(4-methylphenyl)-phenylmethyl] acetate is CC(=O)O[C@@H](c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of [(S)-(4-methylphenyl)-phenylmethyl] acetate?
The InChIKey is BGOPUTDJDHCQTB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-8-10-15(11-9-12)16(18-13(2)17)14-6-4-3-5-7-14/h3-11,16H,1-2H3/t16-/m0/s1.
What are the key properties of [(S)-(4-methylphenyl)-phenylmethyl] acetate?
[(S)-(4-methylphenyl)-phenylmethyl] acetate has a molecular weight of 240.30 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(4-methylphenyl)-phenylmethyl] acetate is sourced from PubChem (CID 40534934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).