3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol

C16H14O6 — CID 163039730

IUPAC3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol
SMILESCOc1ccc(C2=C(O)Oc3cc(O)ccc3C2O)c(O)c1
InChIInChI=1S/C16H14O6/c1-21-9-3-5-10(12(18)7-9)14-15(19)11-4-2-8(17)6-13(11)22-16(14)20/h2-7,15,17-20H,1H3
InChIKeyWLXXVDGFMDTXNJ-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.46
Rot. Bonds2

About 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol

3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol (PubChem CID 163039730) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol.

Molecular Properties

Compound Name3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol
PubChem CID163039730
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol
SMILESCOc1ccc(C2=C(O)Oc3cc(O)ccc3C2O)c(O)c1
InChIInChI=1S/C16H14O6/c1-21-9-3-5-10(12(18)7-9)14-15(19)11-4-2-8(17)6-13(11)22-16(14)20/h2-7,15,17-20H,1H3
InChIKeyWLXXVDGFMDTXNJ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-methoxy-9H-xanthen-9-ol
CID 21482902
4-(2-ethoxy-4-methoxyphenyl)-7-hydroxy-3,4-dihydrochromen-2-one
CID 20984581
7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169447672
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950
7-methoxy-2-methylidene-3,4-dihydrochromen-4-ol
CID 177393956
(6aR,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 53298585
3-(4-methoxyphenyl)-2,8-dimethyl-4H-chromene-4,7-diol
CID 58913608
2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
CID 641806
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
(6aR,11aS)-9-methoxy-6,6a,11,11a-tetrahydrochromeno[4,3-b]indol-3-ol
CID 134845045
3,6-dimethoxy-9-propan-2-yl-9H-xanthene
CID 71740305

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol?
The IUPAC name of 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol (CID 163039730) is 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol.
What is the SMILES notation for 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol?
The canonical SMILES for 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol is COc1ccc(C2=C(O)Oc3cc(O)ccc3C2O)c(O)c1.
What is the InChIKey of 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol?
The InChIKey is WLXXVDGFMDTXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-21-9-3-5-10(12(18)7-9)14-15(19)11-4-2-8(17)6-13(11)22-16(14)20/h2-7,15,17-20H,1H3.
What are the key properties of 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol?
3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol has a molecular weight of 302.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methoxyphenyl)-4H-chromene-2,4,7-triol is sourced from PubChem (CID 163039730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).