7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one

C13H10O3S — CID 20570530

IUPAC7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one
SMILESO=C1CC(c2cccs2)c2ccc(O)cc2O1
InChIInChI=1S/C13H10O3S/c14-8-3-4-9-10(12-2-1-5-17-12)7-13(15)16-11(9)6-8/h1-6,10,14H,7H2
InChIKeyYNSRNHXETUQRND-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.89
Rot. Bonds1

About 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one

7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one (PubChem CID 20570530) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one
PubChem CID20570530
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one
SMILESO=C1CC(c2cccs2)c2ccc(O)cc2O1
InChIInChI=1S/C13H10O3S/c14-8-3-4-9-10(12-2-1-5-17-12)7-13(15)16-11(9)6-8/h1-6,10,14H,7H2
InChIKeyYNSRNHXETUQRND-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one?
The IUPAC name of 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one (CID 20570530) is 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one is O=C1CC(c2cccs2)c2ccc(O)cc2O1.
What is the InChIKey of 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one?
The InChIKey is YNSRNHXETUQRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c14-8-3-4-9-10(12-2-1-5-17-12)7-13(15)16-11(9)6-8/h1-6,10,14H,7H2.
What are the key properties of 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one?
7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one has a molecular weight of 246.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-thiophen-2-yl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 20570530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).