[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate

C23H22O2 — CID 59408587

IUPAC[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22O2/c1-17-9-11-20(12-10-17)23(3,19-7-5-4-6-8-19)21-13-15-22(16-14-21)25-18(2)24/h4-16H,1-3H3
InChIKeyFYVJTPLBTNAERB-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.27
Rot. Bonds4

About [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate

[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate (PubChem CID 59408587) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
PubChem CID59408587
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22O2/c1-17-9-11-20(12-10-17)23(3,19-7-5-4-6-8-19)21-13-15-22(16-14-21)25-18(2)24/h4-16H,1-3H3
InChIKeyFYVJTPLBTNAERB-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate
CID 59036912
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
(4-methylphenyl) acetate;zinc
CID 159589232
acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
CID 20709048
[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate
CID 161219499
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872
[4-[1,1-bis(4-benzoyloxyphenyl)ethyl]phenyl] benzoate
CID 19918778
[4-(1,2-dihydroxy-1-phenylethyl)phenyl] acetate
CID 67748642
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate
CID 89217434
methyl acetate;[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzoate
CID 144741916
[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] benzoate
CID 22959507

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate?
The IUPAC name of [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate (CID 59408587) is [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate.
What is the SMILES notation for [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate?
The canonical SMILES for [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate is CC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate?
The InChIKey is FYVJTPLBTNAERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-17-9-11-20(12-10-17)23(3,19-7-5-4-6-8-19)21-13-15-22(16-14-21)25-18(2)24/h4-16H,1-3H3.
What are the key properties of [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate?
[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate has a molecular weight of 330.43 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate is sourced from PubChem (CID 59408587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).