1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol

C15H17FO — CID 106651521

IUPAC1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(C2=CCCCC2)CCc2c(F)cccc21
InChIInChI=1S/C15H17FO/c16-14-8-4-7-13-12(14)9-10-15(13,17)11-5-2-1-3-6-11/h4-5,7-8,17H,1-3,6,9-10H2
InChIKeyGQOSOLOIKNXQRM-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.46
Rot. Bonds1

About 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol

1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 106651521) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID106651521
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(C2=CCCCC2)CCc2c(F)cccc21
InChIInChI=1S/C15H17FO/c16-14-8-4-7-13-12(14)9-10-15(13,17)11-5-2-1-3-6-11/h4-5,7-8,17H,1-3,6,9-10H2
InChIKeyGQOSOLOIKNXQRM-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070046
4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
CID 83069257
4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 83069805
1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069489
4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol
CID 83068934
4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 83069885
4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
CID 84718996
1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83058958
1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol
CID 114724678
1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057964
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107432549
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057965

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol (CID 106651521) is 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol is OC1(C2=CCCCC2)CCc2c(F)cccc21.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is GQOSOLOIKNXQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c16-14-8-4-7-13-12(14)9-10-15(13,17)11-5-2-1-3-6-11/h4-5,7-8,17H,1-3,6,9-10H2.
What are the key properties of 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 232.30 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 106651521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).