1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol

C15H17NOS — CID 79261075

IUPAC1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol
SMILESCc1cccc(CSc2ccc(C(C)O)cc2)n1
InChIInChI=1S/C15H17NOS/c1-11-4-3-5-14(16-11)10-18-15-8-6-13(7-9-15)12(2)17/h3-9,12,17H,10H2,1-2H3
InChIKeyVVMGIPCLHFZBNX-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.74
Rot. Bonds4

About 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol

1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol (PubChem CID 79261075) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol
PubChem CID79261075
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol
SMILESCc1cccc(CSc2ccc(C(C)O)cc2)n1
InChIInChI=1S/C15H17NOS/c1-11-4-3-5-14(16-11)10-18-15-8-6-13(7-9-15)12(2)17/h3-9,12,17H,10H2,1-2H3
InChIKeyVVMGIPCLHFZBNX-UHFFFAOYSA-N
XLogP3.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(5-bromo-2-pyridinyl)methylsulfanyl]phenyl]ethanol
CID 104811538
N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine
CID 79239474
1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol
CID 64667045
3-[(6-methyl-2-pyridinyl)methylsulfanyl]butan-1-ol
CID 79035532
1-(6-methyl-2-pyridinyl)butan-2-ol
CID 63200949
2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 78994270
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 55238909
6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79233414
1-[4-(quinolin-4-ylmethylsulfanyl)phenyl]ethanol
CID 79232543
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 79267623

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol (CID 79261075) is 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol is Cc1cccc(CSc2ccc(C(C)O)cc2)n1.
What is the InChIKey of 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol?
The InChIKey is VVMGIPCLHFZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-4-3-5-14(16-11)10-18-15-8-6-13(7-9-15)12(2)17/h3-9,12,17H,10H2,1-2H3.
What are the key properties of 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol?
1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol has a molecular weight of 259.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 79261075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).