(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol

C13H12ClFOS — CID 61101728

IUPAC(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc(Cl)ccc2F)s1
InChIInChI=1S/C13H12ClFOS/c1-2-9-4-6-12(17-9)13(16)10-7-8(14)3-5-11(10)15/h3-7,13,16H,2H2,1H3
InChIKeyGDYHNPJITHIRRR-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.18
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol

(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol (PubChem CID 61101728) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol
PubChem CID61101728
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc(Cl)ccc2F)s1
InChIInChI=1S/C13H12ClFOS/c1-2-9-4-6-12(17-9)13(16)10-7-8(14)3-5-11(10)15/h3-7,13,16H,2H2,1H3
InChIKeyGDYHNPJITHIRRR-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
2-[chloro-(5-chloro-2-fluorophenyl)methyl]-5-ethylthiophene
CID 63430815
N-[(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494336
(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 114723653
(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol
CID 61099322
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287311
2-(4-chloro-3-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 107883554
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-ethylthiophene
CID 107991596
2-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-5-ethylthiophene
CID 107477597
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 90394992
(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol (CID 61101728) is (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)c2cc(Cl)ccc2F)s1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol?
The InChIKey is GDYHNPJITHIRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c1-2-9-4-6-12(17-9)13(16)10-7-8(14)3-5-11(10)15/h3-7,13,16H,2H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol?
(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol has a molecular weight of 270.76 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 61101728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).