(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol

C12H9FO2S — CID 11506936

IUPAC(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol
SMILESOCc1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C12H9FO2S/c13-8-1-2-11-10(4-8)12-7(6-15-11)3-9(5-14)16-12/h1-4,14H,5-6H2
InChIKeyHHIAEQVRXAJIKQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.94
Rot. Bonds1

About (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol

(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol (PubChem CID 11506936) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol.

Molecular Properties

Compound Name(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol
PubChem CID11506936
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Name(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol
SMILESOCc1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C12H9FO2S/c13-8-1-2-11-10(4-8)12-7(6-15-11)3-9(5-14)16-12/h1-4,14H,5-6H2
InChIKeyHHIAEQVRXAJIKQ-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol?
The IUPAC name of (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol (CID 11506936) is (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol.
What is the SMILES notation for (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol?
The canonical SMILES for (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol is OCc1cc2c(s1)-c1cc(F)ccc1OC2.
What is the InChIKey of (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol?
The InChIKey is HHIAEQVRXAJIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2S/c13-8-1-2-11-10(4-8)12-7(6-15-11)3-9(5-14)16-12/h1-4,14H,5-6H2.
What are the key properties of (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol?
(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol has a molecular weight of 236.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-4H-thieno[3,2-c]chromen-2-yl)methanol is sourced from PubChem (CID 11506936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).