3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one

C19H20O6 — CID 142744862

IUPAC3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O
InChIInChI=1S/C19H20O6/c1-22-13-8-16(24-3)18-17(9-13)25-10-12(19(18)21)6-11-4-5-14(20)15(7-11)23-2/h4-5,7-9,12,20H,6,10H2,1-3H3
InChIKeyAYNYTYUTGOTSRY-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.85
Rot. Bonds5

About 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one

3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one (PubChem CID 142744862) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
PubChem CID142744862
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(OC)c2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O
InChIInChI=1S/C19H20O6/c1-22-13-8-16(24-3)18-17(9-13)25-10-12(19(18)21)6-11-4-5-14(20)15(7-11)23-2/h4-5,7-9,12,20H,6,10H2,1-3H3
InChIKeyAYNYTYUTGOTSRY-UHFFFAOYSA-N
XLogP2.85
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one
CID 162921322
3-[(3,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-6-methoxy-2,3-dihydrochromen-4-one
CID 14159191
7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one
CID 44814526
(3R)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7,8-dimethoxy-2,3-dihydrochromen-4-one
CID 638293
(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 163087597
(3S)-5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 163038741
(3R)-3-[(3,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 14159176
(3S)-3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 139085157
3,5-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2H-chromen-4-one
CID 162974811
6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 69167667
(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]oxolan-2-one
CID 10853716
(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 102029338

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one (CID 142744862) is 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one is COc1cc(OC)c2c(c1)OCC(Cc1ccc(O)c(OC)c1)C2=O.
What is the InChIKey of 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one?
The InChIKey is AYNYTYUTGOTSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-22-13-8-16(24-3)18-17(9-13)25-10-12(19(18)21)6-11-4-5-14(20)15(7-11)23-2/h4-5,7-9,12,20H,6,10H2,1-3H3.
What are the key properties of 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one?
3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one has a molecular weight of 344.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 142744862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).