2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol

C19H22O7 — CID 163010771

IUPAC2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cc(C2Oc3c(ccc(OC)c3OC)C(OC)C2O)ccc1O
InChIInChI=1S/C19H22O7/c1-22-13-8-6-11-17(24-3)15(21)16(26-18(11)19(13)25-4)10-5-7-12(20)14(9-10)23-2/h5-9,15-17,20-21H,1-4H3
InChIKeyIPCUWVNNQQKAPJ-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.60
Rot. Bonds5

About 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol

2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol (PubChem CID 163010771) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol
PubChem CID163010771
Molecular FormulaC19H22O7
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cc(C2Oc3c(ccc(OC)c3OC)C(OC)C2O)ccc1O
InChIInChI=1S/C19H22O7/c1-22-13-8-6-11-17(24-3)15(21)16(26-18(11)19(13)25-4)10-5-7-12(20)14(9-10)23-2/h5-9,15-17,20-21H,1-4H3
InChIKeyIPCUWVNNQQKAPJ-UHFFFAOYSA-N
XLogP2.60
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol 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-(3,4-dihydroxyphenyl)-4-[[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-chromen-4-yl]oxy]-3,4-dihydro-2H-chromene-3,7,8-triol
CID 162972719
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 10544393
2-methoxy-4-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162670180
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 162955070
[(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 163011084
4-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 14134109
(1R,2R)-1-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]propane-1,2-diol
CID 10832365
2-methoxy-4-[(2S,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 51136353
2-methoxy-4-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 5281836
2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 162462128

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol (CID 163010771) is 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol is COc1cc(C2Oc3c(ccc(OC)c3OC)C(OC)C2O)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is IPCUWVNNQQKAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O7/c1-22-13-8-6-11-17(24-3)15(21)16(26-18(11)19(13)25-4)10-5-7-12(20)14(9-10)23-2/h5-9,15-17,20-21H,1-4H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol?
2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 362.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 163010771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).