(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol

C13H13IO3S — CID 79684219

IUPAC(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol
SMILESCOc1ccc(OC)c(C(O)c2csc(I)c2)c1
InChIInChI=1S/C13H13IO3S/c1-16-9-3-4-11(17-2)10(6-9)13(15)8-5-12(14)18-7-8/h3-7,13,15H,1-2H3
InChIKeyJCDKMNLBPMKQIV-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.45
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol

(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol (PubChem CID 79684219) has the molecular formula C13H13IO3S and a molecular weight of 376.22 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol
PubChem CID79684219
Molecular FormulaC13H13IO3S
Molecular Weight376.22 g/mol
Exact Mass375.96
IUPAC Name(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol
SMILESCOc1ccc(OC)c(C(O)c2csc(I)c2)c1
InChIInChI=1S/C13H13IO3S/c1-16-9-3-4-11(17-2)10(6-9)13(15)8-5-12(14)18-7-8/h3-7,13,15H,1-2H3
InChIKeyJCDKMNLBPMKQIV-UHFFFAOYSA-N
XLogP3.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol 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

(3,5-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61100568
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
CID 61099011
(2,5-dimethoxyphenyl)-(3-fluorophenyl)methanol
CID 61099370
1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
CID 61099714
(4-bromo-3-methylphenyl)-(2,5-dimethoxyphenyl)methanol
CID 81447590
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
4-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-iodothiophene
CID 79691202
(2,5-dimethoxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 65433281
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
3-amino-1-(5-iodothiophen-3-yl)-2-(3-methoxy-4-methylphenyl)propan-1-ol
CID 79691413
(2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105096441

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol?
The IUPAC name of (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol (CID 79684219) is (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol?
The canonical SMILES for (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol is COc1ccc(OC)c(C(O)c2csc(I)c2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol?
The InChIKey is JCDKMNLBPMKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IO3S/c1-16-9-3-4-11(17-2)10(6-9)13(15)8-5-12(14)18-7-8/h3-7,13,15H,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol?
(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol has a molecular weight of 376.22 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol is sourced from PubChem (CID 79684219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).