(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol

C15H13F3OS — CID 106848363

IUPAC(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCCSc1ccc(C(O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F3OS/c1-2-20-10-5-3-9(4-6-10)15(19)11-7-8-12(16)14(18)13(11)17/h3-8,15,19H,2H2,1H3
InChIKeyCKNQIXZKYMLMHT-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.30
Rot. Bonds4

About (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol

(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 106848363) has the molecular formula C15H13F3OS and a molecular weight of 298.33 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID106848363
Molecular FormulaC15H13F3OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC Name(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCCSc1ccc(C(O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H13F3OS/c1-2-20-10-5-3-9(4-6-10)15(19)11-7-8-12(16)14(18)13(11)17/h3-8,15,19H,2H2,1H3
InChIKeyCKNQIXZKYMLMHT-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)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

(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848139
(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128664
(2-chlorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848301
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292
1-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848824
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
1-chloro-4-ethylsulfanylbenzene
CID 5324154
2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 63718158
5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
CID 79755380

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol (CID 106848363) is (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol is CCSc1ccc(C(O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is CKNQIXZKYMLMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3OS/c1-2-20-10-5-3-9(4-6-10)15(19)11-7-8-12(16)14(18)13(11)17/h3-8,15,19H,2H2,1H3.
What are the key properties of (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol?
(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 298.33 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 106848363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).