(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol

C13H13ClOS — CID 80530277

IUPAC(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2sccc2Cl)c1
InChIInChI=1S/C13H13ClOS/c1-8-3-4-9(2)10(7-8)12(15)13-11(14)5-6-16-13/h3-7,12,15H,1-2H3
InChIKeyGUKCMIVLAFOUTC-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.10
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol

(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol (PubChem CID 80530277) has the molecular formula C13H13ClOS and a molecular weight of 252.77 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
PubChem CID80530277
Molecular FormulaC13H13ClOS
Molecular Weight252.77 g/mol
Exact Mass252.04
IUPAC Name(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2sccc2Cl)c1
InChIInChI=1S/C13H13ClOS/c1-8-3-4-9(2)10(7-8)12(15)13-11(14)5-6-16-13/h3-7,12,15H,1-2H3
InChIKeyGUKCMIVLAFOUTC-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)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-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292490
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
3-chloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]thiophene
CID 106863217
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene
CID 80530635
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
2-[bromo-(2-fluoro-5-methylphenyl)methyl]-3-chlorothiophene
CID 80531659
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 82773068
2-[bromo-(5-bromo-2-methylphenyl)methyl]-3-chlorothiophene
CID 80531892

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol (CID 80530277) is (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol is Cc1ccc(C)c(C(O)c2sccc2Cl)c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol?
The InChIKey is GUKCMIVLAFOUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS/c1-8-3-4-9(2)10(7-8)12(15)13-11(14)5-6-16-13/h3-7,12,15H,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol?
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol has a molecular weight of 252.77 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 80530277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).