3-(4-dodecylphenyl)sulfanylphenol

C24H34OS — CID 19594225

IUPAC3-(4-dodecylphenyl)sulfanylphenol
SMILESCCCCCCCCCCCCc1ccc(Sc2cccc(O)c2)cc1
InChIInChI=1S/C24H34OS/c1-2-3-4-5-6-7-8-9-10-11-13-21-16-18-23(19-17-21)26-24-15-12-14-22(25)20-24/h12,14-20,25H,2-11,13H2,1H3
InChIKeySYPKQTINIPOZPX-UHFFFAOYSA-N
MW370.60 g/mol
LogP8.01
Rot. Bonds13

About 3-(4-dodecylphenyl)sulfanylphenol

3-(4-dodecylphenyl)sulfanylphenol (PubChem CID 19594225) has the molecular formula C24H34OS and a molecular weight of 370.60 g/mol. Its IUPAC name is 3-(4-dodecylphenyl)sulfanylphenol.

Molecular Properties

Compound Name3-(4-dodecylphenyl)sulfanylphenol
PubChem CID19594225
Molecular FormulaC24H34OS
Molecular Weight370.60 g/mol
Exact Mass370.23
IUPAC Name3-(4-dodecylphenyl)sulfanylphenol
SMILESCCCCCCCCCCCCc1ccc(Sc2cccc(O)c2)cc1
InChIInChI=1S/C24H34OS/c1-2-3-4-5-6-7-8-9-10-11-13-21-16-18-23(19-17-21)26-24-15-12-14-22(25)20-24/h12,14-20,25H,2-11,13H2,1H3
InChIKeySYPKQTINIPOZPX-UHFFFAOYSA-N
XLogP8.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.60
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diol;4-dodecylphenol
CID 159325714
benzene-1,3-diol;4-nonylphenol
CID 159380657
1-octyl-4-phenylsulfanylbenzene;phenylmethanol
CID 143504950
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
1-hexyl-4-(4-methylphenyl)sulfanylbenzene
CID 143882001
2-amino-4-(4-butylphenyl)sulfanylphenol
CID 70535162
dodecylbenzene;phenol
CID 159734519
3-(4-methylphenyl)sulfanylphenol
CID 20780501
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867

Frequently Asked Questions

What is the IUPAC name of 3-(4-dodecylphenyl)sulfanylphenol?
The IUPAC name of 3-(4-dodecylphenyl)sulfanylphenol (CID 19594225) is 3-(4-dodecylphenyl)sulfanylphenol.
What is the SMILES notation for 3-(4-dodecylphenyl)sulfanylphenol?
The canonical SMILES for 3-(4-dodecylphenyl)sulfanylphenol is CCCCCCCCCCCCc1ccc(Sc2cccc(O)c2)cc1.
What is the InChIKey of 3-(4-dodecylphenyl)sulfanylphenol?
The InChIKey is SYPKQTINIPOZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34OS/c1-2-3-4-5-6-7-8-9-10-11-13-21-16-18-23(19-17-21)26-24-15-12-14-22(25)20-24/h12,14-20,25H,2-11,13H2,1H3.
What are the key properties of 3-(4-dodecylphenyl)sulfanylphenol?
3-(4-dodecylphenyl)sulfanylphenol has a molecular weight of 370.60 g/mol, XLogP of 8.01, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dodecylphenyl)sulfanylphenol is sourced from PubChem (CID 19594225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).