4-(3-methyl-1-sulfanylbutyl)phenol

C11H16OS — CID 144560583

IUPAC4-(3-methyl-1-sulfanylbutyl)phenol
SMILESCC(C)CC(S)c1ccc(O)cc1
InChIInChI=1S/C11H16OS/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11-13H,7H2,1-2H3
InChIKeyVYGTWFHLLBEXQK-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.41
Rot. Bonds3

About 4-(3-methyl-1-sulfanylbutyl)phenol

4-(3-methyl-1-sulfanylbutyl)phenol (PubChem CID 144560583) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-(3-methyl-1-sulfanylbutyl)phenol.

Molecular Properties

Compound Name4-(3-methyl-1-sulfanylbutyl)phenol
PubChem CID144560583
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name4-(3-methyl-1-sulfanylbutyl)phenol
SMILESCC(C)CC(S)c1ccc(O)cc1
InChIInChI=1S/C11H16OS/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11-13H,7H2,1-2H3
InChIKeyVYGTWFHLLBEXQK-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-amino-3-methylbutyl]phenol
CID 130812675
4-(1-chloro-3-methylbutyl)phenol
CID 175072121
4-(4,6-dimethylheptan-2-yl)phenol
CID 6427088
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
methane;4-propan-2-ylphenol
CID 159328733
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
4-(2-amino-4-methylpentyl)phenol
CID 62754924
4-hexan-2-ylphenol
CID 12579179
4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
CID 25177607

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-sulfanylbutyl)phenol?
The IUPAC name of 4-(3-methyl-1-sulfanylbutyl)phenol (CID 144560583) is 4-(3-methyl-1-sulfanylbutyl)phenol.
What is the SMILES notation for 4-(3-methyl-1-sulfanylbutyl)phenol?
The canonical SMILES for 4-(3-methyl-1-sulfanylbutyl)phenol is CC(C)CC(S)c1ccc(O)cc1.
What is the InChIKey of 4-(3-methyl-1-sulfanylbutyl)phenol?
The InChIKey is VYGTWFHLLBEXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11-13H,7H2,1-2H3.
What are the key properties of 4-(3-methyl-1-sulfanylbutyl)phenol?
4-(3-methyl-1-sulfanylbutyl)phenol has a molecular weight of 196.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-sulfanylbutyl)phenol is sourced from PubChem (CID 144560583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).