[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate

C23H22O3 — CID 59036912

IUPAC[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)(c2ccc(C)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H22O3/c1-16-4-6-18(7-5-16)23(3,19-8-12-21(25)13-9-19)20-10-14-22(15-11-20)26-17(2)24/h4-15,25H,1-3H3
InChIKeyLYYBLFIUFWILEA-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.98
Rot. Bonds4

About [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate

[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate (PubChem CID 59036912) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate
PubChem CID59036912
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)(c2ccc(C)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H22O3/c1-16-4-6-18(7-5-16)23(3,19-8-12-21(25)13-9-19)20-10-14-22(15-11-20)26-17(2)24/h4-15,25H,1-3H3
InChIKeyLYYBLFIUFWILEA-UHFFFAOYSA-N
XLogP4.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylphenyl)-1-phenylethyl]phenyl] acetate
CID 59408587
(4-methylphenyl) acetate;zinc
CID 159589232
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate
CID 89217434
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
[4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate
CID 141290260
[4-[1-[3,5-bis[1-(4-hydroxyphenyl)-1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenyl] tert-butyl carbonate
CID 101465913
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159467125
[4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenyl] acetate
CID 139697360
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
ethane;4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 91273565
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
CID 158462536

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate?
The IUPAC name of [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate (CID 59036912) is [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate.
What is the SMILES notation for [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate?
The canonical SMILES for [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate is CC(=O)Oc1ccc(C(C)(c2ccc(C)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate?
The InChIKey is LYYBLFIUFWILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-16-4-6-18(7-5-16)23(3,19-8-12-21(25)13-9-19)20-10-14-22(15-11-20)26-17(2)24/h4-15,25H,1-3H3.
What are the key properties of [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate?
[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate has a molecular weight of 346.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate is sourced from PubChem (CID 59036912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).