(2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol

C13H13ClO3S — CID 61081785

IUPAC(2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol
SMILESCOc1cc(Cl)c(C(O)c2ccsc2)cc1OC
InChIInChI=1S/C13H13ClO3S/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13,15H,1-2H3
InChIKeyAKQIJWJXQPRTQC-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.50
Rot. Bonds4

About (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol

(2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol (PubChem CID 61081785) has the molecular formula C13H13ClO3S and a molecular weight of 284.76 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol
PubChem CID61081785
Molecular FormulaC13H13ClO3S
Molecular Weight284.76 g/mol
Exact Mass284.03
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol
SMILESCOc1cc(Cl)c(C(O)c2ccsc2)cc1OC
InChIInChI=1S/C13H13ClO3S/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13,15H,1-2H3
InChIKeyAKQIJWJXQPRTQC-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol 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

(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
CID 115805659
(2-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanol
CID 61082292
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
3-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]thiophene
CID 61096009
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61081002
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293171
(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293168
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
3-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 61098604
(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 171198892

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol (CID 61081785) is (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol is COc1cc(Cl)c(C(O)c2ccsc2)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol?
The InChIKey is AKQIJWJXQPRTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO3S/c1-16-11-5-9(10(14)6-12(11)17-2)13(15)8-3-4-18-7-8/h3-7,13,15H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol?
(2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol has a molecular weight of 284.76 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 61081785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).