[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol

C16H19NOS — CID 146384494

IUPAC[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol
SMILESCC(C)(C)Sc1ccncc1-c1ccc(CO)cc1
InChIInChI=1S/C16H19NOS/c1-16(2,3)19-15-8-9-17-10-14(15)13-6-4-12(11-18)5-7-13/h4-10,18H,11H2,1-3H3
InChIKeyRKYASZQWOCGYPI-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.13
Rot. Bonds3

About [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol

[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol (PubChem CID 146384494) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol
PubChem CID146384494
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol
SMILESCC(C)(C)Sc1ccncc1-c1ccc(CO)cc1
InChIInChI=1S/C16H19NOS/c1-16(2,3)19-15-8-9-17-10-14(15)13-6-4-12(11-18)5-7-13/h4-10,18H,11H2,1-3H3
InChIKeyRKYASZQWOCGYPI-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-tert-butylsulfanyl-3-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol?
The IUPAC name of [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol (CID 146384494) is [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol.
What is the SMILES notation for [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol?
The canonical SMILES for [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol is CC(C)(C)Sc1ccncc1-c1ccc(CO)cc1.
What is the InChIKey of [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol?
The InChIKey is RKYASZQWOCGYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-16(2,3)19-15-8-9-17-10-14(15)13-6-4-12(11-18)5-7-13/h4-10,18H,11H2,1-3H3.
What are the key properties of [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol?
[4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol has a molecular weight of 273.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylsulfanyl-3-pyridinyl)phenyl]methanol is sourced from PubChem (CID 146384494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).