2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol

C16H23NO2 — CID 90426682

IUPAC2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol
SMILESCc1ccc(OCC2=C(C(C)(C)O)CCCC2)cn1
InChIInChI=1S/C16H23NO2/c1-12-8-9-14(10-17-12)19-11-13-6-4-5-7-15(13)16(2,3)18/h8-10,18H,4-7,11H2,1-3H3
InChIKeyJWZFWJSRHASWKF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.41
Rot. Bonds4

About 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol

2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol (PubChem CID 90426682) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol
PubChem CID90426682
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol
SMILESCc1ccc(OCC2=C(C(C)(C)O)CCCC2)cn1
InChIInChI=1S/C16H23NO2/c1-12-8-9-14(10-17-12)19-11-13-6-4-5-7-15(13)16(2,3)18/h8-10,18H,4-7,11H2,1-3H3
InChIKeyJWZFWJSRHASWKF-UHFFFAOYSA-N
XLogP3.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol?
The IUPAC name of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol (CID 90426682) is 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol is Cc1ccc(OCC2=C(C(C)(C)O)CCCC2)cn1.
What is the InChIKey of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol?
The InChIKey is JWZFWJSRHASWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-8-9-14(10-17-12)19-11-13-6-4-5-7-15(13)16(2,3)18/h8-10,18H,4-7,11H2,1-3H3.
What are the key properties of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol?
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol has a molecular weight of 261.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexen-1-yl]propan-2-ol is sourced from PubChem (CID 90426682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).