6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde

C19H28O3 — CID 144709960

IUPAC6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde
SMILESCCC(C)C1CCCCC1COc1ccc(C)c(O)c1C=O
InChIInChI=1S/C19H28O3/c1-4-13(2)16-8-6-5-7-15(16)12-22-18-10-9-14(3)19(21)17(18)11-20/h9-11,13,15-16,21H,4-8,12H2,1-3H3
InChIKeyFADYTZBRUXSRRO-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.74
Rot. Bonds6

About 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde

6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde (PubChem CID 144709960) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde.

Molecular Properties

Compound Name6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde
PubChem CID144709960
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde
SMILESCCC(C)C1CCCCC1COc1ccc(C)c(O)c1C=O
InChIInChI=1S/C19H28O3/c1-4-13(2)16-8-6-5-7-15(16)12-22-18-10-9-14(3)19(21)17(18)11-20/h9-11,13,15-16,21H,4-8,12H2,1-3H3
InChIKeyFADYTZBRUXSRRO-UHFFFAOYSA-N
XLogP4.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde
CID 86274823
2-hydroxy-6-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-3-methylbenzaldehyde
CID 90434200
4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol
CID 90281584
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
3-ethoxy-6-methylphthalaldehyde
CID 171004125
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867836
2-hydroxy-6-[[(1S,2S,4R)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methoxy]benzaldehyde
CID 118072799
3-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-6-methylpyridine-2-carbaldehyde
CID 118867820
2-hydroxy-3-methyl-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde
CID 123219615
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
CID 90426908
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867768
1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane
CID 91352436

Frequently Asked Questions

What is the IUPAC name of 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde?
The IUPAC name of 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde (CID 144709960) is 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde.
What is the SMILES notation for 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde?
The canonical SMILES for 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde is CCC(C)C1CCCCC1COc1ccc(C)c(O)c1C=O.
What is the InChIKey of 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde?
The InChIKey is FADYTZBRUXSRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-4-13(2)16-8-6-5-7-15(16)12-22-18-10-9-14(3)19(21)17(18)11-20/h9-11,13,15-16,21H,4-8,12H2,1-3H3.
What are the key properties of 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde?
6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde has a molecular weight of 304.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde is sourced from PubChem (CID 144709960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).