1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol

C12H17FOS — CID 65129595

IUPAC1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol
SMILESCCCSCC(O)c1cc(C)ccc1F
InChIInChI=1S/C12H17FOS/c1-3-6-15-8-12(14)10-7-9(2)4-5-11(10)13/h4-5,7,12,14H,3,6,8H2,1-2H3
InChIKeyWIIPXOUNFBCPPM-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.31
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol

1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol (PubChem CID 65129595) has the molecular formula C12H17FOS and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol
PubChem CID65129595
Molecular FormulaC12H17FOS
Molecular Weight228.33 g/mol
Exact Mass228.10
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol
SMILESCCCSCC(O)c1cc(C)ccc1F
InChIInChI=1S/C12H17FOS/c1-3-6-15-8-12(14)10-7-9(2)4-5-11(10)13/h4-5,7,12,14H,3,6,8H2,1-2H3
InChIKeyWIIPXOUNFBCPPM-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol
CID 63891500
1-(2-fluoro-5-methylphenyl)but-3-en-1-ol
CID 116659989
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol
CID 103395386
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
2-(difluoromethyl)-1-fluoro-4-methylbenzene;propane-1-thiol
CID 159426539
1-(3,5-difluorophenyl)-2-propylsulfanylethanol
CID 65129891
4-ethylsulfonyl-1-(2-fluoro-5-methylphenyl)butan-1-ol
CID 115803626
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
CID 62962605
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylethanol
CID 62791168
1-(2-fluoro-5-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780077

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol (CID 65129595) is 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol is CCCSCC(O)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol?
The InChIKey is WIIPXOUNFBCPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FOS/c1-3-6-15-8-12(14)10-7-9(2)4-5-11(10)13/h4-5,7,12,14H,3,6,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol?
1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol has a molecular weight of 228.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol is sourced from PubChem (CID 65129595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).