(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol

C19H21IO6 — CID 6708556

IUPAC(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1ccc([C@H]2Oc3c(I)c(OC)cc(OC)c3C[C@@H]2O)cc1OC
InChIInChI=1S/C19H21IO6/c1-22-13-6-5-10(7-15(13)24-3)18-12(21)8-11-14(23-2)9-16(25-4)17(20)19(11)26-18/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m0/s1
InChIKeyVTUMIISWLFIURS-KPZWWZAWSA-N
MW472.28 g/mol
LogP3.36
Rot. Bonds5

About (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol

(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol (PubChem CID 6708556) has the molecular formula C19H21IO6 and a molecular weight of 472.28 g/mol. Its IUPAC name is (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
PubChem CID6708556
Molecular FormulaC19H21IO6
Molecular Weight472.28 g/mol
Exact Mass472.04
IUPAC Name(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1ccc([C@H]2Oc3c(I)c(OC)cc(OC)c3C[C@@H]2O)cc1OC
InChIInChI=1S/C19H21IO6/c1-22-13-6-5-10(7-15(13)24-3)18-12(21)8-11-14(23-2)9-16(25-4)17(20)19(11)26-18/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m0/s1
InChIKeyVTUMIISWLFIURS-KPZWWZAWSA-N
XLogP3.36
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol (CID 6708556) is (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol is COc1ccc([C@H]2Oc3c(I)c(OC)cc(OC)c3C[C@@H]2O)cc1OC.
What is the InChIKey of (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is VTUMIISWLFIURS-KPZWWZAWSA-N. The full InChI is InChI=1S/C19H21IO6/c1-22-13-6-5-10(7-15(13)24-3)18-12(21)8-11-14(23-2)9-16(25-4)17(20)19(11)26-18/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m0/s1.
What are the key properties of (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol?
(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 472.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 6708556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).