(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C19H22O6 — CID 70252444

IUPAC(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(OC)c([C@H]2COc3c(ccc(O)c3OC)C2)cc1OC
InChIInChI=1S/C19H22O6/c1-21-15-9-17(23-3)16(22-2)8-13(15)12-7-11-5-6-14(20)19(24-4)18(11)25-10-12/h5-6,8-9,12,20H,7,10H2,1-4H3/t12-/m1/s1
InChIKeyGWLUICYHFLJIFM-GFCCVEGCSA-N
MW346.38 g/mol
LogP3.15
Rot. Bonds5

About (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 70252444) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID70252444
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(OC)c([C@H]2COc3c(ccc(O)c3OC)C2)cc1OC
InChIInChI=1S/C19H22O6/c1-21-15-9-17(23-3)16(22-2)8-13(15)12-7-11-5-6-14(20)19(24-4)18(11)25-10-12/h5-6,8-9,12,20H,7,10H2,1-4H3/t12-/m1/s1
InChIKeyGWLUICYHFLJIFM-GFCCVEGCSA-N
XLogP3.15
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 70252444) is (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1cc(OC)c([C@H]2COc3c(ccc(O)c3OC)C2)cc1OC.
What is the InChIKey of (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is GWLUICYHFLJIFM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22O6/c1-21-15-9-17(23-3)16(22-2)8-13(15)12-7-11-5-6-14(20)19(24-4)18(11)25-10-12/h5-6,8-9,12,20H,7,10H2,1-4H3/t12-/m1/s1.
What are the key properties of (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 346.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 70252444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).