3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one

C17H16O6 — CID 151487704

IUPAC3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
SMILESCOc1ccc(C2(O)COc3cc(OC)ccc3C2=O)c(O)c1
InChIInChI=1S/C17H16O6/c1-21-10-4-6-13(14(18)7-10)17(20)9-23-15-8-11(22-2)3-5-12(15)16(17)19/h3-8,18,20H,9H2,1-2H3
InChIKeyPNUNTMYMHUTMPJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.87
Rot. Bonds3

About 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one

3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one (PubChem CID 151487704) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
PubChem CID151487704
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
SMILESCOc1ccc(C2(O)COc3cc(OC)ccc3C2=O)c(O)c1
InChIInChI=1S/C17H16O6/c1-21-10-4-6-13(14(18)7-10)17(20)9-23-15-8-11(22-2)3-5-12(15)16(17)19/h3-8,18,20H,9H2,1-2H3
InChIKeyPNUNTMYMHUTMPJ-UHFFFAOYSA-N
XLogP1.87
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 82277925
(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
CID 163068081
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950
7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3044476
(3S)-3-[2,3-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3,7-dihydroxy-2H-chromen-4-one
CID 100956084
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
(3S)-3-butyl-3-(hydroxymethyl)-7-methoxy-2H-chromen-4-one
CID 101115256
(3R)-3-(hydroxymethyl)-7-methoxy-3-pentyl-2H-chromen-4-one
CID 101115257
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
6-methoxy-1-benzofuran-3-one
CID 585368
[(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate
CID 101115263
3,3-dibromo-7-(4-methoxyphenyl)-2H-chromen-4-one
CID 69402758

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one?
The IUPAC name of 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one (CID 151487704) is 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one.
What is the SMILES notation for 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one?
The canonical SMILES for 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one is COc1ccc(C2(O)COc3cc(OC)ccc3C2=O)c(O)c1.
What is the InChIKey of 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one?
The InChIKey is PNUNTMYMHUTMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-21-10-4-6-13(14(18)7-10)17(20)9-23-15-8-11(22-2)3-5-12(15)16(17)19/h3-8,18,20H,9H2,1-2H3.
What are the key properties of 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one?
3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one has a molecular weight of 316.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one is sourced from PubChem (CID 151487704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).