[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate

C24H24O3 — CID 170110421

IUPAC[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
SMILESCOc1ccc(C(C)(Cc2ccccc2)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C24H24O3/c1-18(25)27-23-15-11-21(12-16-23)24(2,17-19-7-5-4-6-8-19)20-9-13-22(26-3)14-10-20/h4-16H,17H2,1-3H3
InChIKeyGCKJLKUQUUYDSZ-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.17
Rot. Bonds6

About [4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate

[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate (PubChem CID 170110421) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
PubChem CID170110421
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
SMILESCOc1ccc(C(C)(Cc2ccccc2)c2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C24H24O3/c1-18(25)27-23-15-11-21(12-16-23)24(2,17-19-7-5-4-6-8-19)20-9-13-22(26-3)14-10-20/h4-16H,17H2,1-3H3
InChIKeyGCKJLKUQUUYDSZ-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

methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159845877
acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
CID 20709048
[4-(2-phenylpropan-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 4185935
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
CID 67712155
tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
CID 139911356
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
[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-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate;phenyl acetate;propan-2-one
CID 159781668

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate?
The IUPAC name of [4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate (CID 170110421) is [4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate?
The canonical SMILES for [4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate is COc1ccc(C(C)(Cc2ccccc2)c2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate?
The InChIKey is GCKJLKUQUUYDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-18(25)27-23-15-11-21(12-16-23)24(2,17-19-7-5-4-6-8-19)20-9-13-22(26-3)14-10-20/h4-16H,17H2,1-3H3.
What are the key properties of [4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate?
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] 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-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate is sourced from PubChem (CID 170110421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).