(4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol

C17H20FNOS — CID 67981255

IUPAC(4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol
SMILESCSc1cncc(F)c1C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20FNOS/c1-17(2,3)12-7-5-11(6-8-12)16(20)15-13(18)9-19-10-14(15)21-4/h5-10,16,20H,1-4H3
InChIKeyBUHFQERHFWQRBV-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.32
Rot. Bonds3

About (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol

(4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol (PubChem CID 67981255) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol
PubChem CID67981255
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name(4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol
SMILESCSc1cncc(F)c1C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20FNOS/c1-17(2,3)12-7-5-11(6-8-12)16(20)15-13(18)9-19-10-14(15)21-4/h5-10,16,20H,1-4H3
InChIKeyBUHFQERHFWQRBV-UHFFFAOYSA-N
XLogP4.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol?
The IUPAC name of (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol (CID 67981255) is (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol.
What is the SMILES notation for (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol?
The canonical SMILES for (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol is CSc1cncc(F)c1C(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol?
The InChIKey is BUHFQERHFWQRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-17(2,3)12-7-5-11(6-8-12)16(20)15-13(18)9-19-10-14(15)21-4/h5-10,16,20H,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol?
(4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol has a molecular weight of 305.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3-fluoro-5-methylsulfanyl-4-pyridinyl)methanol is sourced from PubChem (CID 67981255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).