1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol

C17H17FO3 — CID 83057964

IUPAC1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCc3c(F)cccc32)c1
InChIInChI=1S/C17H17FO3/c1-20-11-6-7-16(21-2)14(10-11)17(19)9-8-12-13(17)4-3-5-15(12)18/h3-7,10,19H,8-9H2,1-2H3
InChIKeyCVXRNTDQVGSHKJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.03
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol

1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83057964) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83057964
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCc3c(F)cccc32)c1
InChIInChI=1S/C17H17FO3/c1-20-11-6-7-16(21-2)14(10-11)17(19)9-8-12-13(17)4-3-5-15(12)18/h3-7,10,19H,8-9H2,1-2H3
InChIKeyCVXRNTDQVGSHKJ-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

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
1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531723
4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
CID 83069257
5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol
CID 80562890
1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070046
1-(3-chlorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069489
[4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol
CID 83058682
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374991
4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
CID 83069805

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol (CID 83057964) is 1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol is COc1ccc(OC)c(C2(O)CCc3c(F)cccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is CVXRNTDQVGSHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-20-11-6-7-16(21-2)14(10-11)17(19)9-8-12-13(17)4-3-5-15(12)18/h3-7,10,19H,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(2,5-dimethoxyphenyl)-4-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)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83057964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).