2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate

C24H21FO2 — CID 69402955

IUPAC2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)Oc1ccc2c(c1)CCC2)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C24H21FO2/c1-16(24(26)27-21-12-10-17-8-5-9-20(17)14-21)19-11-13-22(23(25)15-19)18-6-3-2-4-7-18/h2-4,6-7,10-16H,5,8-9H2,1H3
InChIKeyAPSGHFWIULCEOY-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.69
Rot. Bonds4

About 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate

2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 69402955) has the molecular formula C24H21FO2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID69402955
Molecular FormulaC24H21FO2
Molecular Weight360.43 g/mol
Exact Mass360.15
IUPAC Name2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)Oc1ccc2c(c1)CCC2)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C24H21FO2/c1-16(24(26)27-21-12-10-17-8-5-9-20(17)14-21)19-11-13-22(23(25)15-19)18-6-3-2-4-7-18/h2-4,6-7,10-16H,5,8-9H2,1H3
InChIKeyAPSGHFWIULCEOY-UHFFFAOYSA-N
XLogP5.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate (CID 69402955) is 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate is CC(C(=O)Oc1ccc2c(c1)CCC2)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is APSGHFWIULCEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO2/c1-16(24(26)27-21-12-10-17-8-5-9-20(17)14-21)19-11-13-22(23(25)15-19)18-6-3-2-4-7-18/h2-4,6-7,10-16H,5,8-9H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate?
2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 360.43 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 69402955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).