1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol

C17H17FO3 — CID 116531723

IUPAC1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCc3cc(F)ccc32)c1
InChIInChI=1S/C17H17FO3/c1-20-13-4-6-16(21-2)15(10-13)17(19)8-7-11-9-12(18)3-5-14(11)17/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyAFDDQFZYILBQRU-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.03
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol

1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol (PubChem CID 116531723) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol
PubChem CID116531723
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCc3cc(F)ccc32)c1
InChIInChI=1S/C17H17FO3/c1-20-13-4-6-16(21-2)15(10-13)17(19)8-7-11-9-12(18)3-5-14(11)17/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyAFDDQFZYILBQRU-UHFFFAOYSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol
CID 80562890
1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057964
7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene
CID 175802586
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 116531754
1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374991
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 107559695
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol (CID 116531723) is 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol is COc1ccc(OC)c(C2(O)CCc3cc(F)ccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is AFDDQFZYILBQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-20-13-4-6-16(21-2)15(10-13)17(19)8-7-11-9-12(18)3-5-14(11)17/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol?
1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 288.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116531723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).