5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one

C20H20O5S — CID 22405888

IUPAC5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one
SMILESCCOc1cc(OC(C)C)cc2oc(Sc3ccc(O)cc3)cc(=O)c12
InChIInChI=1S/C20H20O5S/c1-4-23-17-9-14(24-12(2)3)10-18-20(17)16(22)11-19(25-18)26-15-7-5-13(21)6-8-15/h5-12,21H,4H2,1-3H3
InChIKeyAEILGGXFDOZXCN-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.84
Rot. Bonds6

About 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one

5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one (PubChem CID 22405888) has the molecular formula C20H20O5S and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one
PubChem CID22405888
Molecular FormulaC20H20O5S
Molecular Weight372.44 g/mol
Exact Mass372.10
IUPAC Name5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one
SMILESCCOc1cc(OC(C)C)cc2oc(Sc3ccc(O)cc3)cc(=O)c12
InChIInChI=1S/C20H20O5S/c1-4-23-17-9-14(24-12(2)3)10-18-20(17)16(22)11-19(25-18)26-15-7-5-13(21)6-8-15/h5-12,21H,4H2,1-3H3
InChIKeyAEILGGXFDOZXCN-UHFFFAOYSA-N
XLogP4.84
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one?
The IUPAC name of 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one (CID 22405888) is 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one.
What is the SMILES notation for 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one?
The canonical SMILES for 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one is CCOc1cc(OC(C)C)cc2oc(Sc3ccc(O)cc3)cc(=O)c12.
What is the InChIKey of 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one?
The InChIKey is AEILGGXFDOZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5S/c1-4-23-17-9-14(24-12(2)3)10-18-20(17)16(22)11-19(25-18)26-15-7-5-13(21)6-8-15/h5-12,21H,4H2,1-3H3.
What are the key properties of 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one?
5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one has a molecular weight of 372.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(4-hydroxyphenyl)sulfanyl-7-propan-2-yloxychromen-4-one is sourced from PubChem (CID 22405888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).