[4-(2-methylbutylsulfanylmethyl)phenyl]methanol

C13H20OS — CID 103946497

IUPAC[4-(2-methylbutylsulfanylmethyl)phenyl]methanol
SMILESCCC(C)CSCc1ccc(CO)cc1
InChIInChI=1S/C13H20OS/c1-3-11(2)9-15-10-13-6-4-12(8-14)5-7-13/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeySBDVNOKWAHJABS-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.46
Rot. Bonds6

About [4-(2-methylbutylsulfanylmethyl)phenyl]methanol

[4-(2-methylbutylsulfanylmethyl)phenyl]methanol (PubChem CID 103946497) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is [4-(2-methylbutylsulfanylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-methylbutylsulfanylmethyl)phenyl]methanol
PubChem CID103946497
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name[4-(2-methylbutylsulfanylmethyl)phenyl]methanol
SMILESCCC(C)CSCc1ccc(CO)cc1
InChIInChI=1S/C13H20OS/c1-3-11(2)9-15-10-13-6-4-12(8-14)5-7-13/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeySBDVNOKWAHJABS-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-methyl-3-methylsulfonylpropyl)sulfanylmethyl]phenyl]methanol
CID 110007047
2-amino-4-(2-methylbutylsulfanylmethyl)phenol
CID 107748818
4-[(3-amino-2-methylpropyl)sulfanylmethyl]benzamide
CID 66226072
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 83518576
4-(2-methylbutylsulfanylmethyl)pyridine-2-carboxylic acid
CID 107760823
4-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzenecarboximidamide
CID 66103833
[2-(2-methylbutylsulfanylmethyl)phenyl]boronic acid
CID 107754374
4-(2-methylbutylsulfanylmethyl)-2-nitroaniline
CID 107756573
3-bromo-5-(2-methylbutylsulfanylmethyl)aniline
CID 107748880
4-[2-(2-methylbutylsulfanyl)ethyl]aniline
CID 107748838
[4-(hydroxymethyl)phenyl]methyl N'-butan-2-ylcarbamimidothioate;hydrochloride
CID 110004679
4-[3-(2-methylbutylsulfanyl)propyl]aniline
CID 107754753

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutylsulfanylmethyl)phenyl]methanol?
The IUPAC name of [4-(2-methylbutylsulfanylmethyl)phenyl]methanol (CID 103946497) is [4-(2-methylbutylsulfanylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(2-methylbutylsulfanylmethyl)phenyl]methanol?
The canonical SMILES for [4-(2-methylbutylsulfanylmethyl)phenyl]methanol is CCC(C)CSCc1ccc(CO)cc1.
What is the InChIKey of [4-(2-methylbutylsulfanylmethyl)phenyl]methanol?
The InChIKey is SBDVNOKWAHJABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-3-11(2)9-15-10-13-6-4-12(8-14)5-7-13/h4-7,11,14H,3,8-10H2,1-2H3.
What are the key properties of [4-(2-methylbutylsulfanylmethyl)phenyl]methanol?
[4-(2-methylbutylsulfanylmethyl)phenyl]methanol has a molecular weight of 224.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutylsulfanylmethyl)phenyl]methanol is sourced from PubChem (CID 103946497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).