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

C17H17FO3 — CID 83058958

IUPAC1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C2(O)CCc3c(F)cccc32)cc1OC
InChIInChI=1S/C17H17FO3/c1-20-15-7-6-11(10-16(15)21-2)17(19)9-8-12-13(17)4-3-5-14(12)18/h3-7,10,19H,8-9H2,1-2H3
InChIKeyQKSCUQGQPJWGET-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.03
Rot. Bonds3

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

1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83058958) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83058958
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C2(O)CCc3c(F)cccc32)cc1OC
InChIInChI=1S/C17H17FO3/c1-20-15-7-6-11(10-16(15)21-2)17(19)9-8-12-13(17)4-3-5-14(12)18/h3-7,10,19H,8-9H2,1-2H3
InChIKeyQKSCUQGQPJWGET-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol (CID 83058958) is 1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol is COc1ccc(C2(O)CCc3c(F)cccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is QKSCUQGQPJWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-20-15-7-6-11(10-16(15)21-2)17(19)9-8-12-13(17)4-3-5-14(12)18/h3-7,10,19H,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(3,4-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-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83058958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).