(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone

C15H21NO3 — CID 103450649

IUPAC(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
SMILESCCOc1cncc(C(=O)C2(O)CCC(C)CC2)c1
InChIInChI=1S/C15H21NO3/c1-3-19-13-8-12(9-16-10-13)14(17)15(18)6-4-11(2)5-7-15/h8-11,18H,3-7H2,1-2H3
InChIKeyRLHPFTJWYVDNQU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.60
Rot. Bonds4

About (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone

(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone (PubChem CID 103450649) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
PubChem CID103450649
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
SMILESCCOc1cncc(C(=O)C2(O)CCC(C)CC2)c1
InChIInChI=1S/C15H21NO3/c1-3-19-13-8-12(9-16-10-13)14(17)15(18)6-4-11(2)5-7-15/h8-11,18H,3-7H2,1-2H3
InChIKeyRLHPFTJWYVDNQU-UHFFFAOYSA-N
XLogP2.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750301
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
CID 116607379
(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
CID 116568171
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 107187365
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone?
The IUPAC name of (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone (CID 103450649) is (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone is CCOc1cncc(C(=O)C2(O)CCC(C)CC2)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone?
The InChIKey is RLHPFTJWYVDNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-13-8-12(9-16-10-13)14(17)15(18)6-4-11(2)5-7-15/h8-11,18H,3-7H2,1-2H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone?
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone is sourced from PubChem (CID 103450649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).