1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol

C14H21FO2S — CID 65135833

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
SMILESCOc1ccc(CC(O)CSCC(C)C)cc1F
InChIInChI=1S/C14H21FO2S/c1-10(2)8-18-9-12(16)6-11-4-5-14(17-3)13(15)7-11/h4-5,7,10,12,16H,6,8-9H2,1-3H3
InChIKeyFJOCLZLOLJPMCD-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.13
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol

1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol (PubChem CID 65135833) has the molecular formula C14H21FO2S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
PubChem CID65135833
Molecular FormulaC14H21FO2S
Molecular Weight272.38 g/mol
Exact Mass272.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
SMILESCOc1ccc(CC(O)CSCC(C)C)cc1F
InChIInChI=1S/C14H21FO2S/c1-10(2)8-18-9-12(16)6-11-4-5-14(17-3)13(15)7-11/h4-5,7,10,12,16H,6,8-9H2,1-3H3
InChIKeyFJOCLZLOLJPMCD-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
CID 116659969
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
CID 105084500
2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 61130269
1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 115782389
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43220189
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol (CID 65135833) is 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol is COc1ccc(CC(O)CSCC(C)C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol?
The InChIKey is FJOCLZLOLJPMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2S/c1-10(2)8-18-9-12(16)6-11-4-5-14(17-3)13(15)7-11/h4-5,7,10,12,16H,6,8-9H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol?
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol has a molecular weight of 272.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol is sourced from PubChem (CID 65135833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).