1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol

C15H12F2O — CID 62801026

IUPAC1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol
SMILESOC1(c2ccc(F)c(F)c2)CCc2ccccc21
InChIInChI=1S/C15H12F2O/c16-13-6-5-11(9-14(13)17)15(18)8-7-10-3-1-2-4-12(10)15/h1-6,9,18H,7-8H2
InChIKeyYMRQGXFXABGEFM-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.15
Rot. Bonds1

About 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol

1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol (PubChem CID 62801026) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol
PubChem CID62801026
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol
SMILESOC1(c2ccc(F)c(F)c2)CCc2ccccc21
InChIInChI=1S/C15H12F2O/c16-13-6-5-11(9-14(13)17)15(18)8-7-10-3-1-2-4-12(10)15/h1-6,9,18H,7-8H2
InChIKeyYMRQGXFXABGEFM-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62800863
1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070046
1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374991
1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol
CID 57292646
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60865693
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
CID 107512075
5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 116531754
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816
1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
CID 55116074
1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069489
1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105393720
5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63406667

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol (CID 62801026) is 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol is OC1(c2ccc(F)c(F)c2)CCc2ccccc21.
What is the InChIKey of 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol?
The InChIKey is YMRQGXFXABGEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c16-13-6-5-11(9-14(13)17)15(18)8-7-10-3-1-2-4-12(10)15/h1-6,9,18H,7-8H2.
What are the key properties of 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol?
1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol has a molecular weight of 246.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 62801026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).