(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol

C16H17FOS — CID 107128664

IUPAC(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCCSc1ccc(C(O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H17FOS/c1-3-19-14-8-6-12(7-9-14)16(18)13-5-4-11(2)15(17)10-13/h4-10,16,18H,3H2,1-2H3
InChIKeyUVANOUUJVLCAOY-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.33
Rot. Bonds4

About (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol

(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol (PubChem CID 107128664) has the molecular formula C16H17FOS and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol
PubChem CID107128664
Molecular FormulaC16H17FOS
Molecular Weight276.38 g/mol
Exact Mass276.10
IUPAC Name(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol
SMILESCCSc1ccc(C(O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H17FOS/c1-3-19-14-8-6-12(7-9-14)16(18)13-5-4-11(2)15(17)10-13/h4-10,16,18H,3H2,1-2H3
InChIKeyUVANOUUJVLCAOY-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)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
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848139
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 106848363
(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62490525
3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
(3-fluoro-4-methylphenyl)-(3-iodophenyl)methanol
CID 107130674

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol?
The IUPAC name of (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol (CID 107128664) is (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol is CCSc1ccc(C(O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol?
The InChIKey is UVANOUUJVLCAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FOS/c1-3-19-14-8-6-12(7-9-14)16(18)13-5-4-11(2)15(17)10-13/h4-10,16,18H,3H2,1-2H3.
What are the key properties of (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol?
(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol has a molecular weight of 276.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 107128664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).