2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol

C16H16O6 — CID 71007772

IUPAC2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol
SMILESCOC1(O)Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1
InChIInChI=1S/C16H16O6/c1-21-16(20)8-12-13(19)6-11(18)7-14(12)22-15(16)9-2-4-10(17)5-3-9/h2-7,15,17-20H,8H2,1H3
InChIKeyIVFZHNGWQGVCRI-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol

2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol (PubChem CID 71007772) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol
PubChem CID71007772
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol
SMILESCOC1(O)Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1
InChIInChI=1S/C16H16O6/c1-21-16(20)8-12-13(19)6-11(18)7-14(12)22-15(16)9-2-4-10(17)5-3-9/h2-7,15,17-20H,8H2,1H3
InChIKeyIVFZHNGWQGVCRI-UHFFFAOYSA-N
XLogP1.81
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydroxyphenyl)-3-ethoxy-2,4-dihydrochromene-3,5,7-triol
CID 133064587
(3R)-2-(3,4-dihydroxyphenyl)-3-methyl-2,4-dihydrochromene-3,5,7-triol
CID 71260763
1-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,4-dihydrochromen-3-yl]propan-1-one
CID 91061937
(2S,3R,4R,5R,6S)-2-[[3,5-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrochromen-7-yl]oxy]-6-methyloxane-3,4,5-triol
CID 6451393
(2R,3S)-3-benzyl-2-(3,4-dihydroxyphenyl)-2,4-dihydrochromene-3,5,7-triol
CID 91206714
2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
CID 25232840
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2H-chromen-4-one
CID 100988313
2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
CID 54571165
(2S,3S,4S,5R,6S)-2-[[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162896929
ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
CID 91371558
3,3,5,7-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-chromen-4-one
CID 146681561
(2S,3S)-2-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 126500545

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol (CID 71007772) is 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol is COC1(O)Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol?
The InChIKey is IVFZHNGWQGVCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-21-16(20)8-12-13(19)6-11(18)7-14(12)22-15(16)9-2-4-10(17)5-3-9/h2-7,15,17-20H,8H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol?
2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol has a molecular weight of 304.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-methoxy-2,4-dihydrochromene-3,5,7-triol is sourced from PubChem (CID 71007772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).