[4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol

C13H20O2S — CID 106454968

IUPAC[4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol
SMILESCC(C)COCCSc1ccc(CO)cc1
InChIInChI=1S/C13H20O2S/c1-11(2)10-15-7-8-16-13-5-3-12(9-14)4-6-13/h3-6,11,14H,7-10H2,1-2H3
InChIKeyKKHNQMDQHRSIRW-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.94
Rot. Bonds7

About [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol

[4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol (PubChem CID 106454968) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol
PubChem CID106454968
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name[4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol
SMILESCC(C)COCCSc1ccc(CO)cc1
InChIInChI=1S/C13H20O2S/c1-11(2)10-15-7-8-16-13-5-3-12(9-14)4-6-13/h3-6,11,14H,7-10H2,1-2H3
InChIKeyKKHNQMDQHRSIRW-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methoxyethylsulfanyl)phenyl]methanol
CID 63836171
(2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol
CID 106933440
[4-(methoxymethylsulfanyl)phenyl]methanol
CID 21036167
[4-(3-methylbut-3-enylsulfanyl)phenyl]methanol
CID 114473304
2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol
CID 106454957
[4-(3-ethylsulfonylpropylsulfanyl)phenyl]methanol
CID 113372007
[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol
CID 118229829
4-fluoro-2-[2-(2-methylpropoxy)ethylsulfanyl]aniline
CID 106453386
3-[4-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448621
2-[4-[2-(2-hydroxyethoxy)ethylsulfanyl]phenyl]acetic acid
CID 64926986
2-methylpropyl 4-(hydroxymethyl)benzoate
CID 150293038
2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
CID 61076775

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol?
The IUPAC name of [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol (CID 106454968) is [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol?
The canonical SMILES for [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol is CC(C)COCCSc1ccc(CO)cc1.
What is the InChIKey of [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol?
The InChIKey is KKHNQMDQHRSIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-11(2)10-15-7-8-16-13-5-3-12(9-14)4-6-13/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol?
[4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol has a molecular weight of 240.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylpropoxy)ethylsulfanyl]phenyl]methanol is sourced from PubChem (CID 106454968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).