8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol

C17H18O6 — CID 163072662

IUPAC8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
SMILESCCOc1c(O)ccc2c1OC(c1ccc(O)cc1)C(O)C2O
InChIInChI=1S/C17H18O6/c1-2-22-17-12(19)8-7-11-13(20)14(21)15(23-16(11)17)9-3-5-10(18)6-4-9/h3-8,13-15,18-21H,2H2,1H3
InChIKeyCLGJSAXHDCXYOC-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.02
Rot. Bonds3

About 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol

8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol (PubChem CID 163072662) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol.

Molecular Properties

Compound Name8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
PubChem CID163072662
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
SMILESCCOc1c(O)ccc2c1OC(c1ccc(O)cc1)C(O)C2O
InChIInChI=1S/C17H18O6/c1-2-22-17-12(19)8-7-11-13(20)14(21)15(23-16(11)17)9-3-5-10(18)6-4-9/h3-8,13-15,18-21H,2H2,1H3
InChIKeyCLGJSAXHDCXYOC-UHFFFAOYSA-N
XLogP2.02
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-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

(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 11002087
(2R,3R,4R)-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,4,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
CID 162858835
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
CID 163001838
4-[[2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-chromen-4-yl]oxy]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7,8-triol
CID 101422266
(2R,4S)-4-[[(2R,4S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-chromen-4-yl]oxy]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7,8-triol
CID 101051683
2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
CID 101141276
(2S,3S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 162936201
(2R,3S,4R)-4-(2,4-dihydroxy-3-methoxyphenyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 14463100
2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 163010771
(2S,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one
CID 163103401
(2R,3R,4R)-2-(4-hydroxycyclohexyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
CID 162933215
3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 162866969

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol?
The IUPAC name of 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol (CID 163072662) is 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol.
What is the SMILES notation for 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol?
The canonical SMILES for 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol is CCOc1c(O)ccc2c1OC(c1ccc(O)cc1)C(O)C2O.
What is the InChIKey of 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol?
The InChIKey is CLGJSAXHDCXYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-2-22-17-12(19)8-7-11-13(20)14(21)15(23-16(11)17)9-3-5-10(18)6-4-9/h3-8,13-15,18-21H,2H2,1H3.
What are the key properties of 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol?
8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol has a molecular weight of 318.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol is sourced from PubChem (CID 163072662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).