[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate

C24H24O3 — CID 89217434

IUPAC[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H24O3/c1-17(2)23(26)27-22-15-11-20(12-16-22)24(3,18-7-5-4-6-8-18)19-9-13-21(25)14-10-19/h4-17,25H,1-3H3
InChIKeyFXDIUHCIARWZQM-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.31
Rot. Bonds5

About [4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate

[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate (PubChem CID 89217434) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is [4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate
PubChem CID89217434
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H24O3/c1-17(2)23(26)27-22-15-11-20(12-16-22)24(3,18-7-5-4-6-8-18)19-9-13-21(25)14-10-19/h4-17,25H,1-3H3
InChIKeyFXDIUHCIARWZQM-UHFFFAOYSA-N
XLogP5.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.31
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-[(2-methylpropan-2-yl)oxy]phenyl]-1-phenylethyl]phenyl] 2-methylpropanoate
CID 122522972
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
[4-[1,1-bis[4-(2-bromopropanoyloxy)phenyl]ethyl]phenyl] 2-bromopropanoate
CID 87221824
[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
CID 59408587
[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate
CID 59036912
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
[4-[1,1-bis(4-benzoyloxyphenyl)ethyl]phenyl] benzoate
CID 19918778
5-(4-hydroxyphenoxy)-2,4-dimethyl-5-oxopentanoic acid
CID 139447494
[4-[1-phenyl-1-[4-[2,3,3-trimethyl-4-[2-methyl-4-[2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]butan-2-yl]oxyphenyl]ethyl]phenyl] 2-methylpropanoate
CID 145159267
acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
CID 20709048

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate?
The IUPAC name of [4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate (CID 89217434) is [4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate.
What is the SMILES notation for [4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate?
The canonical SMILES for [4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate is CC(C)C(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate?
The InChIKey is FXDIUHCIARWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-17(2)23(26)27-22-15-11-20(12-16-22)24(3,18-7-5-4-6-8-18)19-9-13-21(25)14-10-19/h4-17,25H,1-3H3.
What are the key properties of [4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate?
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate has a molecular weight of 360.45 g/mol, XLogP of 5.31, 5 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-phenylethyl]phenyl] 2-methylpropanoate is sourced from PubChem (CID 89217434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).