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

C14H13FOS — CID 83069246

IUPAC4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CCc3c(F)cccc32)s1
InChIInChI=1S/C14H13FOS/c1-9-5-6-13(17-9)14(16)8-7-10-11(14)3-2-4-12(10)15/h2-6,16H,7-8H2,1H3
InChIKeyIRVARLRNLAGDPB-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.38
Rot. Bonds1

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

4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol (PubChem CID 83069246) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol
PubChem CID83069246
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CCc3c(F)cccc32)s1
InChIInChI=1S/C14H13FOS/c1-9-5-6-13(17-9)14(16)8-7-10-11(14)3-2-4-12(10)15/h2-6,16H,7-8H2,1H3
InChIKeyIRVARLRNLAGDPB-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol (CID 83069246) is 4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol is Cc1ccc(C2(O)CCc3c(F)cccc32)s1.
What is the InChIKey of 4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol?
The InChIKey is IRVARLRNLAGDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-9-5-6-13(17-9)14(16)8-7-10-11(14)3-2-4-12(10)15/h2-6,16H,7-8H2,1H3.
What are the key properties of 4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol?
4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol has a molecular weight of 248.32 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(5-methylthiophen-2-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).