(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol

C12H9ClF2OS — CID 82773068

IUPAC(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H9ClF2OS/c1-6-2-3-17-12(6)11(16)7-4-10(15)8(13)5-9(7)14/h2-5,11,16H,1H3
InChIKeyHRSGWWYSKCRALR-UHFFFAOYSA-N
MW274.72 g/mol
LogP4.07
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol

(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 82773068) has the molecular formula C12H9ClF2OS and a molecular weight of 274.72 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
PubChem CID82773068
Molecular FormulaC12H9ClF2OS
Molecular Weight274.72 g/mol
Exact Mass274.00
IUPAC Name(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H9ClF2OS/c1-6-2-3-17-12(6)11(16)7-4-10(15)8(13)5-9(7)14/h2-5,11,16H,1H3
InChIKeyHRSGWWYSKCRALR-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-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-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 81461208
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79730854
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277
2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115790919
(3-bromo-4-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 79747205
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanol
CID 80535916
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841710

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol (CID 82773068) is (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is HRSGWWYSKCRALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2OS/c1-6-2-3-17-12(6)11(16)7-4-10(15)8(13)5-9(7)14/h2-5,11,16H,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol?
(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 274.72 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 82773068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).