(4-butyl-2-pyridinyl)-phenylmethanol

C16H19NO — CID 121226358

IUPAC(4-butyl-2-pyridinyl)-phenylmethanol
SMILESCCCCc1ccnc(C(O)c2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-2-3-7-13-10-11-17-15(12-13)16(18)14-8-5-4-6-9-14/h4-6,8-12,16,18H,2-3,7H2,1H3
InChIKeyPZSWTZYSJNAYSE-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.51
Rot. Bonds5

About (4-butyl-2-pyridinyl)-phenylmethanol

(4-butyl-2-pyridinyl)-phenylmethanol (PubChem CID 121226358) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (4-butyl-2-pyridinyl)-phenylmethanol.

Molecular Properties

Compound Name(4-butyl-2-pyridinyl)-phenylmethanol
PubChem CID121226358
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(4-butyl-2-pyridinyl)-phenylmethanol
SMILESCCCCc1ccnc(C(O)c2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-2-3-7-13-10-11-17-15(12-13)16(18)14-8-5-4-6-9-14/h4-6,8-12,16,18H,2-3,7H2,1H3
InChIKeyPZSWTZYSJNAYSE-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-butyl-2-pyridinyl)-phenylmethanol?
The IUPAC name of (4-butyl-2-pyridinyl)-phenylmethanol (CID 121226358) is (4-butyl-2-pyridinyl)-phenylmethanol.
What is the SMILES notation for (4-butyl-2-pyridinyl)-phenylmethanol?
The canonical SMILES for (4-butyl-2-pyridinyl)-phenylmethanol is CCCCc1ccnc(C(O)c2ccccc2)c1.
What is the InChIKey of (4-butyl-2-pyridinyl)-phenylmethanol?
The InChIKey is PZSWTZYSJNAYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-7-13-10-11-17-15(12-13)16(18)14-8-5-4-6-9-14/h4-6,8-12,16,18H,2-3,7H2,1H3.
What are the key properties of (4-butyl-2-pyridinyl)-phenylmethanol?
(4-butyl-2-pyridinyl)-phenylmethanol has a molecular weight of 241.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-2-pyridinyl)-phenylmethanol is sourced from PubChem (CID 121226358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).