(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol

C15H17NO — CID 115373656

IUPAC(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol
SMILESCCc1ccc(C(O)c2cncc(C)c2)cc1
InChIInChI=1S/C15H17NO/c1-3-12-4-6-13(7-5-12)15(17)14-8-11(2)9-16-10-14/h4-10,15,17H,3H2,1-2H3
InChIKeyNXWZPZZRFRZCRJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.03
Rot. Bonds3

About (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol

(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 115373656) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol
PubChem CID115373656
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol
SMILESCCc1ccc(C(O)c2cncc(C)c2)cc1
InChIInChI=1S/C15H17NO/c1-3-12-4-6-13(7-5-12)15(17)14-8-11(2)9-16-10-14/h4-10,15,17H,3H2,1-2H3
InChIKeyNXWZPZZRFRZCRJ-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol (CID 115373656) is (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol is CCc1ccc(C(O)c2cncc(C)c2)cc1.
What is the InChIKey of (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is NXWZPZZRFRZCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-12-4-6-13(7-5-12)15(17)14-8-11(2)9-16-10-14/h4-10,15,17H,3H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol?
(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 227.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115373656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).