[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate

C24H24O3 — CID 4185935

IUPAC[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24O3/c1-24(2,19-7-5-4-6-8-19)20-11-15-22(16-12-20)27-23(25)17-18-9-13-21(26-3)14-10-18/h4-16H,17H2,1-3H3
InChIKeyNLQSXHKXXMGYGG-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.17
Rot. Bonds6

About [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate

[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate (PubChem CID 4185935) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
PubChem CID4185935
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24O3/c1-24(2,19-7-5-4-6-8-19)20-11-15-22(16-12-20)27-23(25)17-18-9-13-21(26-3)14-10-18/h4-16H,17H2,1-3H3
InChIKeyNLQSXHKXXMGYGG-UHFFFAOYSA-N
XLogP5.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
CID 1194399
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
[3-(acetyloxymethyl)phenyl]methyl 2-[4-[2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl]acetate
CID 66804734
ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159845877
[4-[2-(4-methoxycarbonyloxyphenyl)propan-2-yl]phenyl] [4-[2-(4-methoxyphenyl)-2-oxoethyl]phenyl] carbonate
CID 58260459
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
(4-formylphenyl) 2-(4-methoxyphenyl)acetate
CID 39199740
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate (CID 4185935) is [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is NLQSXHKXXMGYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-24(2,19-7-5-4-6-8-19)20-11-15-22(16-12-20)27-23(25)17-18-9-13-21(26-3)14-10-18/h4-16H,17H2,1-3H3.
What are the key properties of [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate?
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 360.45 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 4185935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).