6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol

C14H22O2S — CID 107707278

IUPAC6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol
SMILESCC(O)c1ccc(SCCCCCCO)cc1
InChIInChI=1S/C14H22O2S/c1-12(16)13-6-8-14(9-7-13)17-11-5-3-2-4-10-15/h6-9,12,15-16H,2-5,10-11H2,1H3
InChIKeyJWRNACIGTONHQL-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.38
Rot. Bonds8

About 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol

6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol (PubChem CID 107707278) has the molecular formula C14H22O2S and a molecular weight of 254.40 g/mol. Its IUPAC name is 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol.

Molecular Properties

Compound Name6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol
PubChem CID107707278
Molecular FormulaC14H22O2S
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol
SMILESCC(O)c1ccc(SCCCCCCO)cc1
InChIInChI=1S/C14H22O2S/c1-12(16)13-6-8-14(9-7-13)17-11-5-3-2-4-10-15/h6-9,12,15-16H,2-5,10-11H2,1H3
InChIKeyJWRNACIGTONHQL-UHFFFAOYSA-N
XLogP3.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(Methylsulfanyl)phenyl]methanol
CID 592968
Thiochroman-4-ol
CID 375102
Phenyl(2-thienyl)methanol
CID 2741016
(2-Methanesulfonylphenyl)methanol
CID 22050773
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
(3-Methanesulfonylphenyl)methanol
CID 23549738
(4R)-3,4-dihydro-2H-1-benzothiopyran-4-ol
CID 7812615
(2S,4R,6S)-2-(ethylsulfanylmethyl)-6-methyl-4-phenyloxan-4-ol
CID 46223819
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-Phenyl-2-sulfanylethan-1-ol
CID 12048614
1-(4-Sulfanylphenyl)ethan-1-ol
CID 14388411
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol?
The IUPAC name of 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol (CID 107707278) is 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol.
What is the SMILES notation for 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol?
The canonical SMILES for 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol is CC(O)c1ccc(SCCCCCCO)cc1.
What is the InChIKey of 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol?
The InChIKey is JWRNACIGTONHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-12(16)13-6-8-14(9-7-13)17-11-5-3-2-4-10-15/h6-9,12,15-16H,2-5,10-11H2,1H3.
What are the key properties of 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol?
6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol is sourced from PubChem (CID 107707278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).