[4-(2,4-dimethylphenyl)thiolan-2-yl]methanol

C13H18OS — CID 70474892

IUPAC[4-(2,4-dimethylphenyl)thiolan-2-yl]methanol
SMILESCc1ccc(C2CSC(CO)C2)c(C)c1
InChIInChI=1S/C13H18OS/c1-9-3-4-13(10(2)5-9)11-6-12(7-14)15-8-11/h3-5,11-12,14H,6-8H2,1-2H3
InChIKeyKLDNSWJWWFHCGL-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.88
Rot. Bonds2

About [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol

[4-(2,4-dimethylphenyl)thiolan-2-yl]methanol (PubChem CID 70474892) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)thiolan-2-yl]methanol
PubChem CID70474892
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name[4-(2,4-dimethylphenyl)thiolan-2-yl]methanol
SMILESCc1ccc(C2CSC(CO)C2)c(C)c1
InChIInChI=1S/C13H18OS/c1-9-3-4-13(10(2)5-9)11-6-12(7-14)15-8-11/h3-5,11-12,14H,6-8H2,1-2H3
InChIKeyKLDNSWJWWFHCGL-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol?
The IUPAC name of [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol (CID 70474892) is [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol.
What is the SMILES notation for [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol?
The canonical SMILES for [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol is Cc1ccc(C2CSC(CO)C2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol?
The InChIKey is KLDNSWJWWFHCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-9-3-4-13(10(2)5-9)11-6-12(7-14)15-8-11/h3-5,11-12,14H,6-8H2,1-2H3.
What are the key properties of [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol?
[4-(2,4-dimethylphenyl)thiolan-2-yl]methanol has a molecular weight of 222.35 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)thiolan-2-yl]methanol is sourced from PubChem (CID 70474892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).