7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one

C17H16O6 — CID 131753209

IUPAC7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one
SMILESCOc1c(C2COc3cc(O)ccc3C2=O)ccc(CO)c1O
InChIInChI=1S/C17H16O6/c1-22-17-11(4-2-9(7-18)15(17)20)13-8-23-14-6-10(19)3-5-12(14)16(13)21/h2-6,13,18-20H,7-8H2,1H3
InChIKeyNAOWONDUKAFFFO-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.96
Rot. Bonds3

About 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one

7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one (PubChem CID 131753209) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one
PubChem CID131753209
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one
SMILESCOc1c(C2COc3cc(O)ccc3C2=O)ccc(CO)c1O
InChIInChI=1S/C17H16O6/c1-22-17-11(4-2-9(7-18)15(17)20)13-8-23-14-6-10(19)3-5-12(14)16(13)21/h2-6,13,18-20H,7-8H2,1H3
InChIKeyNAOWONDUKAFFFO-UHFFFAOYSA-N
XLogP1.96
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 24796965
(3R)-3-[2,3-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-2,3-dihydrochromen-4-one
CID 91110852
7-hydroxy-3-[3-hydroxy-4-methoxy-2-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
CID 163086665
7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169447672
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950
(3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 162857311
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
3-(1,3-benzodioxol-5-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 590611
(3R)-3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 46232310
(3R)-3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
CID 162877175
acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 154678052

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one (CID 131753209) is 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one is COc1c(C2COc3cc(O)ccc3C2=O)ccc(CO)c1O.
What is the InChIKey of 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one?
The InChIKey is NAOWONDUKAFFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-22-17-11(4-2-9(7-18)15(17)20)13-8-23-14-6-10(19)3-5-12(14)16(13)21/h2-6,13,18-20H,7-8H2,1H3.
What are the key properties of 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one?
7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one has a molecular weight of 316.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 131753209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).