5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one

C18H16O6 — CID 146036318

IUPAC5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
SMILESCOc1cc(CCc2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
InChIInChI=1S/C18H16O6/c1-23-16-6-10(3-5-13(16)20)2-4-12-9-15(22)18-14(21)7-11(19)8-17(18)24-12/h3,5-9,19-21H,2,4H2,1H3
InChIKeyNSRQEAZUYGLTFV-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.70
Rot. Bonds4

About 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one

5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one (PubChem CID 146036318) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
PubChem CID146036318
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
SMILESCOc1cc(CCc2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
InChIInChI=1S/C18H16O6/c1-23-16-6-10(3-5-13(16)20)2-4-12-9-15(22)18-14(21)7-11(19)8-17(18)24-12/h3,5-9,19-21H,2,4H2,1H3
InChIKeyNSRQEAZUYGLTFV-UHFFFAOYSA-N
XLogP2.70
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
CID 162857287
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one
CID 162852587
5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 118278480
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865
2-methoxy-4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]phenol
CID 118728002
2-benzyl-5-hydroxy-7-methoxychromen-4-one
CID 11822088
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
5,7-dihydroxy-2-[(Z)-pentadec-10-enyl]chromen-4-one
CID 166634856
5,7-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
CID 10389701

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one (CID 146036318) is 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one is COc1cc(CCc2cc(=O)c3c(O)cc(O)cc3o2)ccc1O.
What is the InChIKey of 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one?
The InChIKey is NSRQEAZUYGLTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-23-16-6-10(3-5-13(16)20)2-4-12-9-15(22)18-14(21)7-11(19)8-17(18)24-12/h3,5-9,19-21H,2,4H2,1H3.
What are the key properties of 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one?
5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one has a molecular weight of 328.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one is sourced from PubChem (CID 146036318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).