1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol

C15H12ClFO — CID 83069489

IUPAC1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(c2cccc(Cl)c2)CCc2c(F)cccc21
InChIInChI=1S/C15H12ClFO/c16-11-4-1-3-10(9-11)15(18)8-7-12-13(15)5-2-6-14(12)17/h1-6,9,18H,7-8H2
InChIKeyZWAHJWURLWCDJR-UHFFFAOYSA-N
MW262.71 g/mol
LogP3.66
Rot. Bonds1

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

1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83069489) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83069489
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(c2cccc(Cl)c2)CCc2c(F)cccc21
InChIInChI=1S/C15H12ClFO/c16-11-4-1-3-10(9-11)15(18)8-7-12-13(15)5-2-6-14(12)17/h1-6,9,18H,7-8H2
InChIKeyZWAHJWURLWCDJR-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070046
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
4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 83069885
4-fluoro-1-pyridin-3-yl-2,3-dihydroinden-1-ol
CID 83068934
4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
CID 83069257
1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83069879
1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057964
1-(cyclohexen-1-yl)-4-fluoro-2,3-dihydroinden-1-ol
CID 106651521
1-(1-benzofuran-2-yl)-4-fluoro-2,3-dihydroinden-1-ol
CID 114724678
1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol
CID 62801026
4-fluoro-1-(1-propylpyrazol-4-yl)-2,3-dihydroinden-1-ol
CID 83069798

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol (CID 83069489) is 1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol is OC1(c2cccc(Cl)c2)CCc2c(F)cccc21.
What is the InChIKey of 1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is ZWAHJWURLWCDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c16-11-4-1-3-10(9-11)15(18)8-7-12-13(15)5-2-6-14(12)17/h1-6,9,18H,7-8H2.
What are the key properties of 1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 262.71 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).