[2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol

C15H22OS — CID 116842695

IUPAC[2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol
SMILESCC(C)Sc1ccc(C2(CO)CC2(C)C)cc1
InChIInChI=1S/C15H22OS/c1-11(2)17-13-7-5-12(6-8-13)15(10-16)9-14(15,3)4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyGOIKYOSCOUCPEB-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.85
Rot. Bonds4

About [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol

[2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol (PubChem CID 116842695) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol
PubChem CID116842695
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name[2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol
SMILESCC(C)Sc1ccc(C2(CO)CC2(C)C)cc1
InChIInChI=1S/C15H22OS/c1-11(2)17-13-7-5-12(6-8-13)15(10-16)9-14(15,3)4/h5-8,11,16H,9-10H2,1-4H3
InChIKeyGOIKYOSCOUCPEB-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]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

[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanol
CID 116842604
3-(4-propan-2-ylsulfanylphenyl)oxetane-3-thiol
CID 116872904
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
2-(4-propan-2-ylsulfanylanilino)ethanol
CID 96671487
3-(4-propan-2-ylsulfanylphenyl)oxetane-3-carbonitrile
CID 116873187
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
2-(4-propan-2-ylsulfanylanilino)acetic acid
CID 82494664
2-(4-propan-2-ylsulfanylphenyl)butanoic acid
CID 16640883
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 116921275
1-[amino-(4-propan-2-ylsulfanylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943125
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol?
The IUPAC name of [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol (CID 116842695) is [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol?
The canonical SMILES for [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol is CC(C)Sc1ccc(C2(CO)CC2(C)C)cc1.
What is the InChIKey of [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol?
The InChIKey is GOIKYOSCOUCPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-11(2)17-13-7-5-12(6-8-13)15(10-16)9-14(15,3)4/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol?
[2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol has a molecular weight of 250.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 116842695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).