1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol

C16H17FOS — CID 63836206

IUPAC1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol
SMILESCc1cccc(CSc2ccc(C(C)O)cc2F)c1
InChIInChI=1S/C16H17FOS/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(12(2)18)9-15(16)17/h3-9,12,18H,10H2,1-2H3
InChIKeyNMGZLPZUVSNCNO-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.48
Rot. Bonds4

About 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol

1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol (PubChem CID 63836206) has the molecular formula C16H17FOS and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol
PubChem CID63836206
Molecular FormulaC16H17FOS
Molecular Weight276.38 g/mol
Exact Mass276.10
IUPAC Name1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol
SMILESCc1cccc(CSc2ccc(C(C)O)cc2F)c1
InChIInChI=1S/C16H17FOS/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(12(2)18)9-15(16)17/h3-9,12,18H,10H2,1-2H3
InChIKeyNMGZLPZUVSNCNO-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol 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

(1R)-1-[5-fluoro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 63371638
(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol
CID 78952025
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
4-chloro-5-fluoro-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 114089214
5-fluoro-3-hydroxy-6-[(3-methylphenyl)methylsulfanyl]-1,3-dihydroindol-2-one
CID 80746863
5-iodo-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 66081378
1-[2-[(3-methylphenyl)methylsulfanyl]phenyl]propan-1-one
CID 112677690
3,5-difluoro-4-[(3-methylphenyl)methylsulfanyl]benzoic acid
CID 63537880
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1-[3-fluoro-4-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63856190
N-methyl-1-[4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 55112738

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol (CID 63836206) is 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol is Cc1cccc(CSc2ccc(C(C)O)cc2F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol?
The InChIKey is NMGZLPZUVSNCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FOS/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(12(2)18)9-15(16)17/h3-9,12,18H,10H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol?
1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol has a molecular weight of 276.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 63836206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).