2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol

C16H14O6 — CID 11779665

IUPAC2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol
SMILESCOC1=Cc2ccc(O)cc2OC1(O)c1ccc(O)c(O)c1
InChIInChI=1S/C16H14O6/c1-21-15-6-9-2-4-11(17)8-14(9)22-16(15,20)10-3-5-12(18)13(19)7-10/h2-8,17-20H,1H3
InChIKeyOXALIFLILHAMRY-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.03
Rot. Bonds2

About 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol

2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol (PubChem CID 11779665) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol
PubChem CID11779665
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol
SMILESCOC1=Cc2ccc(O)cc2OC1(O)c1ccc(O)c(O)c1
InChIInChI=1S/C16H14O6/c1-21-15-6-9-2-4-11(17)8-14(9)22-16(15,20)10-3-5-12(18)13(19)7-10/h2-8,17-20H,1H3
InChIKeyOXALIFLILHAMRY-UHFFFAOYSA-N
XLogP2.03
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,7-dimethoxy-2,2-dimethylchromene
CID 70516159
2-ethyl-2-(trifluoromethyl)chromen-7-ol
CID 141098205
2-(4-hydroxy-3,5-dimethoxyphenyl)chromene-2,3,5,7-tetrol
CID 71413134
(3R)-2,3,4-tribromo-2-(3,4-dihydroxyphenyl)-4H-chromene-3,5,7-triol
CID 139898380
[2,3,4,4-tetraacetyl-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-3-yl] acetate
CID 22229415
(10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione
CID 701677
3-(3-hydroxy-4,5-dimethoxyphenyl)-2H-chromen-7-ol
CID 102080181
2,4,6-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-benzofuran-3-one
CID 102497252
7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol
CID 101359385
6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
CID 131879123
2-(3,4-dihydroxyphenyl)-2-(2-hydroxyethoxy)-3,4-dihydrochromene-3,5,7-triol
CID 54127670
2,3-bis(4-hydroxyphenyl)-2H-chromen-7-ol
CID 14751407

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol (CID 11779665) is 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol is COC1=Cc2ccc(O)cc2OC1(O)c1ccc(O)c(O)c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol?
The InChIKey is OXALIFLILHAMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-21-15-6-9-2-4-11(17)8-14(9)22-16(15,20)10-3-5-12(18)13(19)7-10/h2-8,17-20H,1H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol?
2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol has a molecular weight of 302.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol is sourced from PubChem (CID 11779665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).