1-(4-ethylsulfanylphenyl)butan-2-ol

C12H18OS — CID 91658585

IUPAC1-(4-ethylsulfanylphenyl)butan-2-ol
SMILESCCSc1ccc(CC(O)CC)cc1
InChIInChI=1S/C12H18OS/c1-3-11(13)9-10-5-7-12(8-6-10)14-4-2/h5-8,11,13H,3-4,9H2,1-2H3
InChIKeyDPMFSEYNICRJPV-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.11
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)butan-2-ol

1-(4-ethylsulfanylphenyl)butan-2-ol (PubChem CID 91658585) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)butan-2-ol
PubChem CID91658585
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name1-(4-ethylsulfanylphenyl)butan-2-ol
SMILESCCSc1ccc(CC(O)CC)cc1
InChIInChI=1S/C12H18OS/c1-3-11(13)9-10-5-7-12(8-6-10)14-4-2/h5-8,11,13H,3-4,9H2,1-2H3
InChIKeyDPMFSEYNICRJPV-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylsulfanylphenyl)butan-2-ol 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

2-[(4-ethylsulfanylphenyl)methyl]butan-1-amine
CID 116930905
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
2-[(4-ethylsulfanylphenyl)methyl]-3-oxobutanoic acid
CID 141061743
2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116931016
1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65141825
1-[4-(trifluoromethylsulfanyl)phenyl]hexane-2,4-diol
CID 67794201
1-ethylsulfanyl-4-(2-methylbut-3-ynyl)benzene
CID 83935870
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
(2R)-1-[4-(diethylamino)phenyl]butan-2-ol
CID 94776154
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)butan-2-ol?
The IUPAC name of 1-(4-ethylsulfanylphenyl)butan-2-ol (CID 91658585) is 1-(4-ethylsulfanylphenyl)butan-2-ol.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)butan-2-ol?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)butan-2-ol is CCSc1ccc(CC(O)CC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)butan-2-ol?
The InChIKey is DPMFSEYNICRJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-3-11(13)9-10-5-7-12(8-6-10)14-4-2/h5-8,11,13H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)butan-2-ol?
1-(4-ethylsulfanylphenyl)butan-2-ol has a molecular weight of 210.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)butan-2-ol is sourced from PubChem (CID 91658585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).