(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate

C24H24O2 — CID 19221602

IUPAC(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
SMILESCC(C)c1ccc(CCC(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24O2/c1-18(2)20-11-8-19(9-12-20)10-17-24(25)26-23-15-13-22(14-16-23)21-6-4-3-5-7-21/h3-9,11-16,18H,10,17H2,1-2H3
InChIKeyOFELQTQLEZYBMD-UHFFFAOYSA-N
MW344.45 g/mol
LogP6.02
Rot. Bonds6

About (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate

(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate (PubChem CID 19221602) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate.

Molecular Properties

Compound Name(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
PubChem CID19221602
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
SMILESCC(C)c1ccc(CCC(=O)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24O2/c1-18(2)20-11-8-19(9-12-20)10-17-24(25)26-23-15-13-22(14-16-23)21-6-4-3-5-7-21/h3-9,11-16,18H,10,17H2,1-2H3
InChIKeyOFELQTQLEZYBMD-UHFFFAOYSA-N
XLogP6.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
CID 19221621
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
phenyl 2-[4-(4-propan-2-ylphenoxy)phenyl]acetate
CID 158472100
CID 70464798
CID 70464798
[4-(4-cyanophenyl)phenyl] 3-phenylpropanoate
CID 3875588
phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate
CID 157324077
(4-propan-2-ylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 18283365
(4-propan-2-ylphenyl) 3-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]propanoate
CID 54754354
(4-fluorophenyl) 3-phenylpropanoate
CID 562084
(4-propan-2-ylphenyl) 4-chlorobutanoate
CID 54792701
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate?
The IUPAC name of (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate (CID 19221602) is (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate.
What is the SMILES notation for (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate?
The canonical SMILES for (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate is CC(C)c1ccc(CCC(=O)Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate?
The InChIKey is OFELQTQLEZYBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-18(2)20-11-8-19(9-12-20)10-17-24(25)26-23-15-13-22(14-16-23)21-6-4-3-5-7-21/h3-9,11-16,18H,10,17H2,1-2H3.
What are the key properties of (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate?
(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate has a molecular weight of 344.45 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate is sourced from PubChem (CID 19221602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).