7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol

C22H25FO — CID 143844617

IUPAC7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol
SMILESCCC(CC)C1C(O)=Cc2ccc(C)c(-c3ccc(C)c(F)c3)c21
InChIInChI=1S/C22H25FO/c1-5-15(6-2)21-19(24)12-17-10-8-14(4)20(22(17)21)16-9-7-13(3)18(23)11-16/h7-12,15,21,24H,5-6H2,1-4H3
InChIKeyJBLMGDVTBUGDFB-UHFFFAOYSA-N
MW324.44 g/mol
LogP6.54
Rot. Bonds4

About 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol

7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol (PubChem CID 143844617) has the molecular formula C22H25FO and a molecular weight of 324.44 g/mol. Its IUPAC name is 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol.

Molecular Properties

Compound Name7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol
PubChem CID143844617
Molecular FormulaC22H25FO
Molecular Weight324.44 g/mol
Exact Mass324.19
IUPAC Name7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol
SMILESCCC(CC)C1C(O)=Cc2ccc(C)c(-c3ccc(C)c(F)c3)c21
InChIInChI=1S/C22H25FO/c1-5-15(6-2)21-19(24)12-17-10-8-14(4)20(22(17)21)16-9-7-13(3)18(23)11-16/h7-12,15,21,24H,5-6H2,1-4H3
InChIKeyJBLMGDVTBUGDFB-UHFFFAOYSA-N
XLogP6.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol?
The IUPAC name of 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol (CID 143844617) is 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol.
What is the SMILES notation for 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol?
The canonical SMILES for 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol is CCC(CC)C1C(O)=Cc2ccc(C)c(-c3ccc(C)c(F)c3)c21.
What is the InChIKey of 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol?
The InChIKey is JBLMGDVTBUGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO/c1-5-15(6-2)21-19(24)12-17-10-8-14(4)20(22(17)21)16-9-7-13(3)18(23)11-16/h7-12,15,21,24H,5-6H2,1-4H3.
What are the key properties of 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol?
7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol has a molecular weight of 324.44 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methylphenyl)-6-methyl-1-pentan-3-yl-1H-inden-2-ol is sourced from PubChem (CID 143844617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).