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

C17H13FO2 — CID 114724678

IUPAC1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(c2cc3ccccc3o2)CCc2c(F)cccc21
InChIInChI=1S/C17H13FO2/c18-14-6-3-5-13-12(14)8-9-17(13,19)16-10-11-4-1-2-7-15(11)20-16/h1-7,10,19H,8-9H2
InChIKeyBFQOACQSOHLZNF-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.75
Rot. Bonds1

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

1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 114724678) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID114724678
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(c2cc3ccccc3o2)CCc2c(F)cccc21
InChIInChI=1S/C17H13FO2/c18-14-6-3-5-13-12(14)8-9-17(13,19)16-10-11-4-1-2-7-15(11)20-16/h1-7,10,19H,8-9H2
InChIKeyBFQOACQSOHLZNF-UHFFFAOYSA-N
XLogP3.75
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069489
1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol
CID 106651521
4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 83069805
1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83058958
1-(1-benzofuran-2-yl)cyclohex-2-en-1-ol
CID 114724804
4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol
CID 83068934
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
4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
CID 84718996
1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070139

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol (CID 114724678) is 1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol is OC1(c2cc3ccccc3o2)CCc2c(F)cccc21.
What is the InChIKey of 1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is BFQOACQSOHLZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2/c18-14-6-3-5-13-12(14)8-9-17(13,19)16-10-11-4-1-2-7-15(11)20-16/h1-7,10,19H,8-9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 268.29 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 114724678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).