6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one

C26H32O6S — CID 142681773

IUPAC6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one
SMILESCOc1c(OC(C)C)cc2oc(SCc3ccc(OC(C)C)cc3)cc(=O)c2c1OC(C)C
InChIInChI=1S/C26H32O6S/c1-15(2)29-19-10-8-18(9-11-19)14-33-23-12-20(27)24-21(32-23)13-22(30-16(3)4)25(28-7)26(24)31-17(5)6/h8-13,15-17H,14H2,1-7H3
InChIKeyDLOMUDSNFVBFLL-UHFFFAOYSA-N
MW472.60 g/mol
LogP6.46
Rot. Bonds10

About 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one

6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one (PubChem CID 142681773) has the molecular formula C26H32O6S and a molecular weight of 472.60 g/mol. Its IUPAC name is 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one.

Molecular Properties

Compound Name6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one
PubChem CID142681773
Molecular FormulaC26H32O6S
Molecular Weight472.60 g/mol
Exact Mass472.19
IUPAC Name6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one
SMILESCOc1c(OC(C)C)cc2oc(SCc3ccc(OC(C)C)cc3)cc(=O)c2c1OC(C)C
InChIInChI=1S/C26H32O6S/c1-15(2)29-19-10-8-18(9-11-19)14-33-23-12-20(27)24-21(32-23)13-22(30-16(3)4)25(28-7)26(24)31-17(5)6/h8-13,15-17H,14H2,1-7H3
InChIKeyDLOMUDSNFVBFLL-UHFFFAOYSA-N
XLogP6.46
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 5317750
Nobiletin
CID 72344
Tectorigenin
CID 5281811
Deguelin
CID 107935
Hispidulin
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Wogonin
CID 5281703
Oroxylin A
CID 5320315
Eupatilin
CID 5273755

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one?
The IUPAC name of 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one (CID 142681773) is 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one.
What is the SMILES notation for 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one?
The canonical SMILES for 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one is COc1c(OC(C)C)cc2oc(SCc3ccc(OC(C)C)cc3)cc(=O)c2c1OC(C)C.
What is the InChIKey of 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one?
The InChIKey is DLOMUDSNFVBFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O6S/c1-15(2)29-19-10-8-18(9-11-19)14-33-23-12-20(27)24-21(32-23)13-22(30-16(3)4)25(28-7)26(24)31-17(5)6/h8-13,15-17H,14H2,1-7H3.
What are the key properties of 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one?
6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one has a molecular weight of 472.60 g/mol, XLogP of 6.46, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5,7-di(propan-2-yloxy)-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]chromen-4-one is sourced from PubChem (CID 142681773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).