5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol

C13H19FO2S — CID 110923614

IUPAC5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol
SMILESCOc1ccc(F)cc1CSCCCCCO
InChIInChI=1S/C13H19FO2S/c1-16-13-6-5-12(14)9-11(13)10-17-8-4-2-3-7-15/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyMOGZAJXTBSHHQV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.23
Rot. Bonds8

About 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol

5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol (PubChem CID 110923614) has the molecular formula C13H19FO2S and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol.

Molecular Properties

Compound Name5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol
PubChem CID110923614
Molecular FormulaC13H19FO2S
Molecular Weight258.36 g/mol
Exact Mass258.11
IUPAC Name5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol
SMILESCOc1ccc(F)cc1CSCCCCCO
InChIInChI=1S/C13H19FO2S/c1-16-13-6-5-12(14)9-11(13)10-17-8-4-2-3-7-15/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyMOGZAJXTBSHHQV-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 66114297
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4-[4-methoxy-3-(pentylsulfanylmethyl)phenyl]but-3-yn-1-ol
CID 107754500
3-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]propan-1-ol
CID 66127935
2-[(2,5-difluorophenyl)methylsulfanyl]ethanol
CID 61035614
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
5-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]pentan-1-ol
CID 107696990
4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
CID 116861530
5-fluoro-2-(3-hydroxypropylsulfanylmethyl)benzonitrile
CID 66128937
2-[[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]methylsulfanyl]ethanol
CID 54969627
(5-fluoro-2-methoxyphenyl)methanethiol
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CID 18348829

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol?
The IUPAC name of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol (CID 110923614) is 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol.
What is the SMILES notation for 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol?
The canonical SMILES for 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol is COc1ccc(F)cc1CSCCCCCO.
What is the InChIKey of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol?
The InChIKey is MOGZAJXTBSHHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2S/c1-16-13-6-5-12(14)9-11(13)10-17-8-4-2-3-7-15/h5-6,9,15H,2-4,7-8,10H2,1H3.
What are the key properties of 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol?
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol is sourced from PubChem (CID 110923614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).