(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one

C21H24O5 — CID 102029338

IUPAC(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C[C@@H]2COc3c(C)c(OC)c(C)c(OC)c3C2=O)cc1
InChIInChI=1S/C21H24O5/c1-12-19(24-4)13(2)21-17(20(12)25-5)18(22)15(11-26-21)10-14-6-8-16(23-3)9-7-14/h6-9,15H,10-11H2,1-5H3/t15-/m1/s1
InChIKeyXHIHTNSUKGMXRN-OAHLLOKOSA-N
MW356.42 g/mol
LogP3.76
Rot. Bonds5

About (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one

(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one (PubChem CID 102029338) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
PubChem CID102029338
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C[C@@H]2COc3c(C)c(OC)c(C)c(OC)c3C2=O)cc1
InChIInChI=1S/C21H24O5/c1-12-19(24-4)13(2)21-17(20(12)25-5)18(22)15(11-26-21)10-14-6-8-16(23-3)9-7-14/h6-9,15H,10-11H2,1-5H3/t15-/m1/s1
InChIKeyXHIHTNSUKGMXRN-OAHLLOKOSA-N
XLogP3.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one?
The IUPAC name of (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one (CID 102029338) is (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one is COc1ccc(C[C@@H]2COc3c(C)c(OC)c(C)c(OC)c3C2=O)cc1.
What is the InChIKey of (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one?
The InChIKey is XHIHTNSUKGMXRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24O5/c1-12-19(24-4)13(2)21-17(20(12)25-5)18(22)15(11-26-21)10-14-6-8-16(23-3)9-7-14/h6-9,15H,10-11H2,1-5H3/t15-/m1/s1.
What are the key properties of (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one?
(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one has a molecular weight of 356.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 102029338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).