2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one

C20H20O6S — CID 11509319

IUPAC2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one
SMILESCOc1c(OC(C)C)cc2oc(Sc3ccc(O)cc3)cc(=O)c2c1OC
InChIInChI=1S/C20H20O6S/c1-11(2)25-16-10-15-18(20(24-4)19(16)23-3)14(22)9-17(26-15)27-13-7-5-12(21)6-8-13/h5-11,21H,1-4H3
InChIKeyYQPYENWOPAZRSJ-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one

2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one (PubChem CID 11509319) has the molecular formula C20H20O6S and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one
PubChem CID11509319
Molecular FormulaC20H20O6S
Molecular Weight388.44 g/mol
Exact Mass388.10
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one
SMILESCOc1c(OC(C)C)cc2oc(Sc3ccc(O)cc3)cc(=O)c2c1OC
InChIInChI=1S/C20H20O6S/c1-11(2)25-16-10-15-18(20(24-4)19(16)23-3)14(22)9-17(26-15)27-13-7-5-12(21)6-8-13/h5-11,21H,1-4H3
InChIKeyYQPYENWOPAZRSJ-UHFFFAOYSA-N
XLogP4.45
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one (CID 11509319) is 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one is COc1c(OC(C)C)cc2oc(Sc3ccc(O)cc3)cc(=O)c2c1OC.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one?
The InChIKey is YQPYENWOPAZRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6S/c1-11(2)25-16-10-15-18(20(24-4)19(16)23-3)14(22)9-17(26-15)27-13-7-5-12(21)6-8-13/h5-11,21H,1-4H3.
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one?
2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one has a molecular weight of 388.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-5,6-dimethoxy-7-propan-2-yloxychromen-4-one is sourced from PubChem (CID 11509319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).