2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol

C19H30OS — CID 19000358

IUPAC2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol
SMILESCC(C)(C)c1cc(SC2CCCC2O)cc(C(C)(C)C)c1
InChIInChI=1S/C19H30OS/c1-18(2,3)13-10-14(19(4,5)6)12-15(11-13)21-17-9-7-8-16(17)20/h10-12,16-17,20H,7-9H2,1-6H3
InChIKeyNAGHTGFEUZZYQL-UHFFFAOYSA-N
MW306.52 g/mol
LogP5.29
Rot. Bonds2

About 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol

2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol (PubChem CID 19000358) has the molecular formula C19H30OS and a molecular weight of 306.52 g/mol. Its IUPAC name is 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol
PubChem CID19000358
Molecular FormulaC19H30OS
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol
SMILESCC(C)(C)c1cc(SC2CCCC2O)cc(C(C)(C)C)c1
InChIInChI=1S/C19H30OS/c1-18(2,3)13-10-14(19(4,5)6)12-15(11-13)21-17-9-7-8-16(17)20/h10-12,16-17,20H,7-9H2,1-6H3
InChIKeyNAGHTGFEUZZYQL-UHFFFAOYSA-N
XLogP5.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol?
The IUPAC name of 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol (CID 19000358) is 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol.
What is the SMILES notation for 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol?
The canonical SMILES for 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol is CC(C)(C)c1cc(SC2CCCC2O)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol?
The InChIKey is NAGHTGFEUZZYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30OS/c1-18(2,3)13-10-14(19(4,5)6)12-15(11-13)21-17-9-7-8-16(17)20/h10-12,16-17,20H,7-9H2,1-6H3.
What are the key properties of 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol?
2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol has a molecular weight of 306.52 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylphenyl)sulfanylcyclopentan-1-ol is sourced from PubChem (CID 19000358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).