7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid

C24H29FO3 — CID 15125108

IUPAC7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid
SMILESCc1c(C)c2c(c(C(CCCCCC(=O)O)c3ccc(F)cc3)c1O)CCC2
InChIInChI=1S/C24H29FO3/c1-15-16(2)24(28)23(21-9-6-8-19(15)21)20(7-4-3-5-10-22(26)27)17-11-13-18(25)14-12-17/h11-14,20,28H,3-10H2,1-2H3,(H,26,27)
InChIKeySBWLSWHLJCBFIC-UHFFFAOYSA-N
MW384.49 g/mol
LogP5.80
Rot. Bonds8

About 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid

7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid (PubChem CID 15125108) has the molecular formula C24H29FO3 and a molecular weight of 384.49 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid.

Molecular Properties

Compound Name7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid
PubChem CID15125108
Molecular FormulaC24H29FO3
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid
SMILESCc1c(C)c2c(c(C(CCCCCC(=O)O)c3ccc(F)cc3)c1O)CCC2
InChIInChI=1S/C24H29FO3/c1-15-16(2)24(28)23(21-9-6-8-19(15)21)20(7-4-3-5-10-22(26)27)17-11-13-18(25)14-12-17/h11-14,20,28H,3-10H2,1-2H3,(H,26,27)
InChIKeySBWLSWHLJCBFIC-UHFFFAOYSA-N
XLogP5.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid?
The IUPAC name of 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid (CID 15125108) is 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid.
What is the SMILES notation for 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid?
The canonical SMILES for 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid is Cc1c(C)c2c(c(C(CCCCCC(=O)O)c3ccc(F)cc3)c1O)CCC2.
What is the InChIKey of 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid?
The InChIKey is SBWLSWHLJCBFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FO3/c1-15-16(2)24(28)23(21-9-6-8-19(15)21)20(7-4-3-5-10-22(26)27)17-11-13-18(25)14-12-17/h11-14,20,28H,3-10H2,1-2H3,(H,26,27).
What are the key properties of 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid?
7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid has a molecular weight of 384.49 g/mol, XLogP of 5.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-7-(5-hydroxy-6,7-dimethyl-2,3-dihydro-1H-inden-4-yl)heptanoic acid is sourced from PubChem (CID 15125108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).