7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one

C18H22O4 — CID 75193241

IUPAC7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
SMILESCOc1ccc(C2=COC3C(CCC(OC)C3C)C2=O)cc1
InChIInChI=1S/C18H22O4/c1-11-16(21-3)9-8-14-17(19)15(10-22-18(11)14)12-4-6-13(20-2)7-5-12/h4-7,10-11,14,16,18H,8-9H2,1-3H3
InChIKeyMIHVYHSYFURTKK-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.07
Rot. Bonds3

About 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one

7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one (PubChem CID 75193241) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
PubChem CID75193241
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
SMILESCOc1ccc(C2=COC3C(CCC(OC)C3C)C2=O)cc1
InChIInChI=1S/C18H22O4/c1-11-16(21-3)9-8-14-17(19)15(10-22-18(11)14)12-4-6-13(20-2)7-5-12/h4-7,10-11,14,16,18H,8-9H2,1-3H3
InChIKeyMIHVYHSYFURTKK-UHFFFAOYSA-N
XLogP3.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one (CID 75193241) is 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one is COc1ccc(C2=COC3C(CCC(OC)C3C)C2=O)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
The InChIKey is MIHVYHSYFURTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-11-16(21-3)9-8-14-17(19)15(10-22-18(11)14)12-4-6-13(20-2)7-5-12/h4-7,10-11,14,16,18H,8-9H2,1-3H3.
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one has a molecular weight of 302.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one is sourced from PubChem (CID 75193241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).