1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol

C15H21FO2S — CID 105084457

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
SMILESCOc1ccc(CC(O)CC2CCSCC2)cc1F
InChIInChI=1S/C15H21FO2S/c1-18-15-3-2-12(10-14(15)16)9-13(17)8-11-4-6-19-7-5-11/h2-3,10-11,13,17H,4-9H2,1H3
InChIKeyJQBDRGZOOWEYIW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.27
Rot. Bonds5

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

1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol (PubChem CID 105084457) has the molecular formula C15H21FO2S and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
PubChem CID105084457
Molecular FormulaC15H21FO2S
Molecular Weight284.40 g/mol
Exact Mass284.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
SMILESCOc1ccc(CC(O)CC2CCSCC2)cc1F
InChIInChI=1S/C15H21FO2S/c1-18-15-3-2-12(10-14(15)16)9-13(17)8-11-4-6-19-7-5-11/h2-3,10-11,13,17H,4-9H2,1H3
InChIKeyJQBDRGZOOWEYIW-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105089308
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
CID 116659969
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
1-(5-chloro-2-methoxyphenyl)-2-(thian-4-yl)ethanol
CID 105092179
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 105076726
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135833
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol (CID 105084457) is 1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol is COc1ccc(CC(O)CC2CCSCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol?
The InChIKey is JQBDRGZOOWEYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2S/c1-18-15-3-2-12(10-14(15)16)9-13(17)8-11-4-6-19-7-5-11/h2-3,10-11,13,17H,4-9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol?
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 3.27, 5 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-(thian-4-yl)propan-2-ol is sourced from PubChem (CID 105084457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).