2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol

C17H17FO2 — CID 130219881

IUPAC2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCc1cc(-c2ccc3c(c2)CC(F)C3O)cc(C)c1O
InChIInChI=1S/C17H17FO2/c1-9-5-12(6-10(2)16(9)19)11-3-4-14-13(7-11)8-15(18)17(14)20/h3-7,15,17,19-20H,8H2,1-2H3
InChIKeyJICYCDQRNZQXFJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.60
Rot. Bonds1

About 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol

2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 130219881) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID130219881
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCc1cc(-c2ccc3c(c2)CC(F)C3O)cc(C)c1O
InChIInChI=1S/C17H17FO2/c1-9-5-12(6-10(2)16(9)19)11-3-4-14-13(7-11)8-15(18)17(14)20/h3-7,15,17,19-20H,8H2,1-2H3
InChIKeyJICYCDQRNZQXFJ-UHFFFAOYSA-N
XLogP3.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-chloro-2,3-dihydro-1H-inden-5-yl)-2,6-dimethylphenol;5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol
CID 157184583
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
5-(4-hydroxy-3,5-dimethylphenyl)-1H-inden-1-ol
CID 130219609
ethane;4-(4-hydroxy-3,5-dimethylphenyl)benzene-1,2-diol
CID 174407562
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
CID 158897386
CID 158897386
2,6-dimethyl-4-(4-sulfanylphenyl)phenol
CID 129086516
5-(3,4-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 101299097
ethane;2-fluoro-5-(4-hydroxy-3-methylphenyl)-2,3-dihydroinden-1-one
CID 145349958
5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 130228173
5-(3,4-dimethylphenyl)benzene-1,2,3-triol
CID 101299815
5-(3-fluoro-4-methylphenyl)-2-methyl-2,3-dihydro-1H-indene
CID 22899633

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol (CID 130219881) is 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol is Cc1cc(-c2ccc3c(c2)CC(F)C3O)cc(C)c1O.
What is the InChIKey of 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is JICYCDQRNZQXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-9-5-12(6-10(2)16(9)19)11-3-4-14-13(7-11)8-15(18)17(14)20/h3-7,15,17,19-20H,8H2,1-2H3.
What are the key properties of 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol?
2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 272.32 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 130219881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).