5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol

C18H19FO — CID 116531708

IUPAC5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol
SMILESCCCc1ccc(C2(O)CCc3cc(F)ccc32)cc1
InChIInChI=1S/C18H19FO/c1-2-3-13-4-6-15(7-5-13)18(20)11-10-14-12-16(19)8-9-17(14)18/h4-9,12,20H,2-3,10-11H2,1H3
InChIKeyTVHNMUIJVWPKID-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.96
Rot. Bonds3

About 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol

5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 116531708) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol
PubChem CID116531708
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol
SMILESCCCc1ccc(C2(O)CCc3cc(F)ccc32)cc1
InChIInChI=1S/C18H19FO/c1-2-3-13-4-6-15(7-5-13)18(20)11-10-14-12-16(19)8-9-17(14)18/h4-9,12,20H,2-3,10-11H2,1H3
InChIKeyTVHNMUIJVWPKID-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol (CID 116531708) is 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol is CCCc1ccc(C2(O)CCc3cc(F)ccc32)cc1.
What is the InChIKey of 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is TVHNMUIJVWPKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-2-3-13-4-6-15(7-5-13)18(20)11-10-14-12-16(19)8-9-17(14)18/h4-9,12,20H,2-3,10-11H2,1H3.
What are the key properties of 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol?
5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 270.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116531708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).