3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde

C19H21NO3 — CID 90426908

IUPAC3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1CCCCC1c1ccccc1
InChIInChI=1S/C19H21NO3/c21-12-17-18(22)10-20-11-19(17)23-13-15-8-4-5-9-16(15)14-6-2-1-3-7-14/h1-3,6-7,10-12,15-16,22H,4-5,8-9,13H2
InChIKeyWEELSGSJRPLDON-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.95
Rot. Bonds5

About 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde

3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde (PubChem CID 90426908) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
PubChem CID90426908
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1CCCCC1c1ccccc1
InChIInChI=1S/C19H21NO3/c21-12-17-18(22)10-20-11-19(17)23-13-15-8-4-5-9-16(15)14-6-2-1-3-7-14/h1-3,6-7,10-12,15-16,22H,4-5,8-9,13H2
InChIKeyWEELSGSJRPLDON-UHFFFAOYSA-N
XLogP3.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434212
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434268
3-hydroxy-5-[[2-[2-(3,3,3-trifluoropropyl)-1,5-dihydropyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 145045546
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867768
ethane;3-hydroxy-5-[[2-[2-(3,3,3-trifluoropropyl)-1,5-dihydropyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 145045545
3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90434047
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867836
3-chloro-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90434163
trimethyl-[(2-phenylcyclohexyl)methoxy]silane
CID 144768157
[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
CID 130762341
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434224

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde (CID 90426908) is 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde is O=Cc1c(O)cncc1OCC1CCCCC1c1ccccc1.
What is the InChIKey of 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde?
The InChIKey is WEELSGSJRPLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-12-17-18(22)10-20-11-19(17)23-13-15-8-4-5-9-16(15)14-6-2-1-3-7-14/h1-3,6-7,10-12,15-16,22H,4-5,8-9,13H2.
What are the key properties of 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde?
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde has a molecular weight of 311.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 90426908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).