4-methyl-2,6-bis(propylsulfanylmethyl)phenol

C15H24OS2 — CID 141259423

IUPAC4-methyl-2,6-bis(propylsulfanylmethyl)phenol
SMILESCCCSCc1cc(C)cc(CSCCC)c1O
InChIInChI=1S/C15H24OS2/c1-4-6-17-10-13-8-12(3)9-14(15(13)16)11-18-7-5-2/h8-9,16H,4-7,10-11H2,1-3H3
InChIKeyNUXUQZSYNOLYOQ-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.99
Rot. Bonds8

About 4-methyl-2,6-bis(propylsulfanylmethyl)phenol

4-methyl-2,6-bis(propylsulfanylmethyl)phenol (PubChem CID 141259423) has the molecular formula C15H24OS2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-methyl-2,6-bis(propylsulfanylmethyl)phenol.

Molecular Properties

Compound Name4-methyl-2,6-bis(propylsulfanylmethyl)phenol
PubChem CID141259423
Molecular FormulaC15H24OS2
Molecular Weight284.49 g/mol
Exact Mass284.13
IUPAC Name4-methyl-2,6-bis(propylsulfanylmethyl)phenol
SMILESCCCSCc1cc(C)cc(CSCCC)c1O
InChIInChI=1S/C15H24OS2/c1-4-6-17-10-13-8-12(3)9-14(15(13)16)11-18-7-5-2/h8-9,16H,4-7,10-11H2,1-3H3
InChIKeyNUXUQZSYNOLYOQ-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.99
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

4-methyl-2,6-bis(pentylsulfanylmethyl)phenol
CID 141259435
4-bromo-2,6-bis(octylsulfanylmethyl)phenol
CID 71398376
4-tert-butyl-2,6-bis(dodecylsulfanylmethyl)phenol
CID 22065460
2,4-bis(decylsulfanylmethyl)-6-methylphenol;2-methyl-4,6-bis(nonylsulfanylmethyl)phenol
CID 89120375
2-ethyl-4-methyl-6-propylphenol
CID 66879780
2-methoxy-4,6-bis(octylsulfanylmethyl)phenol
CID 156698134
2-tert-butyl-4-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanylmethyl)phenol
CID 58330185
2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol
CID 22065451
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
2-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)disulfanyl]-4-methylphenol
CID 139889373

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(propylsulfanylmethyl)phenol?
The IUPAC name of 4-methyl-2,6-bis(propylsulfanylmethyl)phenol (CID 141259423) is 4-methyl-2,6-bis(propylsulfanylmethyl)phenol.
What is the SMILES notation for 4-methyl-2,6-bis(propylsulfanylmethyl)phenol?
The canonical SMILES for 4-methyl-2,6-bis(propylsulfanylmethyl)phenol is CCCSCc1cc(C)cc(CSCCC)c1O.
What is the InChIKey of 4-methyl-2,6-bis(propylsulfanylmethyl)phenol?
The InChIKey is NUXUQZSYNOLYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS2/c1-4-6-17-10-13-8-12(3)9-14(15(13)16)11-18-7-5-2/h8-9,16H,4-7,10-11H2,1-3H3.
What are the key properties of 4-methyl-2,6-bis(propylsulfanylmethyl)phenol?
4-methyl-2,6-bis(propylsulfanylmethyl)phenol has a molecular weight of 284.49 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(propylsulfanylmethyl)phenol is sourced from PubChem (CID 141259423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).