2-chloro-4-(6-hydroxyhexylsulfanyl)phenol

C12H17ClO2S — CID 19745479

IUPAC2-chloro-4-(6-hydroxyhexylsulfanyl)phenol
SMILESOCCCCCCSc1ccc(O)c(Cl)c1
InChIInChI=1S/C12H17ClO2S/c13-11-9-10(5-6-12(11)15)16-8-4-2-1-3-7-14/h5-6,9,14-15H,1-4,7-8H2
InChIKeyMAAPSGWHTZDQSN-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.69
Rot. Bonds7

About 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol

2-chloro-4-(6-hydroxyhexylsulfanyl)phenol (PubChem CID 19745479) has the molecular formula C12H17ClO2S and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(6-hydroxyhexylsulfanyl)phenol
PubChem CID19745479
Molecular FormulaC12H17ClO2S
Molecular Weight260.79 g/mol
Exact Mass260.06
IUPAC Name2-chloro-4-(6-hydroxyhexylsulfanyl)phenol
SMILESOCCCCCCSc1ccc(O)c(Cl)c1
InChIInChI=1S/C12H17ClO2S/c13-11-9-10(5-6-12(11)15)16-8-4-2-1-3-7-14/h5-6,9,14-15H,1-4,7-8H2
InChIKeyMAAPSGWHTZDQSN-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.69
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-butylsulfanyl-2-chlorophenol
CID 102249148
3-(3-chloro-4-methoxyphenyl)sulfanylpropan-1-ol
CID 117033419
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile
CID 10130383
2-chloro-4-(3-hydroxypropylsulfanyl)benzenecarboximidamide
CID 66114956
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
2-chloro-4-(disulfanyl)phenol
CID 123357058
3-[3-chloro-4-(propylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 114064990
5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol
CID 62229037
6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol
CID 107707278
2-(3-chloro-4-hydroxyphenyl)sulfanylethyl 2-(3-chloro-4-hydroxyphenyl)sulfanylpropanoate
CID 54091421
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol?
The IUPAC name of 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol (CID 19745479) is 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol.
What is the SMILES notation for 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol?
The canonical SMILES for 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol is OCCCCCCSc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol?
The InChIKey is MAAPSGWHTZDQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2S/c13-11-9-10(5-6-12(11)15)16-8-4-2-1-3-7-14/h5-6,9,14-15H,1-4,7-8H2.
What are the key properties of 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol?
2-chloro-4-(6-hydroxyhexylsulfanyl)phenol has a molecular weight of 260.79 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-hydroxyhexylsulfanyl)phenol is sourced from PubChem (CID 19745479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).