6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde

C19H22O3 — CID 91664543

IUPAC6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde
SMILESCOCC1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C19H22O3/c1-21-13-14-3-7-18(8-4-14)22-19-9-6-16-10-15(12-20)2-5-17(16)11-19/h2,5-6,9-12,14,18H,3-4,7-8,13H2,1H3
InChIKeyZRMQUKRPPJGDCD-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.24
Rot. Bonds5

About 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde

6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde (PubChem CID 91664543) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde
PubChem CID91664543
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde
SMILESCOCC1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C19H22O3/c1-21-13-14-3-7-18(8-4-14)22-19-9-6-16-10-15(12-20)2-5-17(16)11-19/h2,5-6,9-12,14,18H,3-4,7-8,13H2,1H3
InChIKeyZRMQUKRPPJGDCD-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
CID 118243893
2-[4-(methoxymethyl)cyclohexyl]quinoline-6-carbaldehyde
CID 170940679
6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde
CID 163848347
1-[[6-[4-(methoxymethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine
CID 141348697
4-cyclopropyloxybenzaldehyde
CID 71423039
2-aminoacetonitrile;6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile;methane
CID 159584625
2-[(1S,3R)-3-(methoxymethyl)cyclohexyl]quinoline-6-carbaldehyde
CID 170940729
naphthalene-2,6-dicarbaldehyde
CID 159038637
4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
CID 131887316
4-cyclopentyloxybenzaldehyde
CID 3152724
3-aminopropanenitrile;6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]propanenitrile;methane
CID 158643933
6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate
CID 158248181

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde?
The IUPAC name of 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde (CID 91664543) is 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde?
The canonical SMILES for 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde is COCC1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1.
What is the InChIKey of 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde?
The InChIKey is ZRMQUKRPPJGDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-21-13-14-3-7-18(8-4-14)22-19-9-6-16-10-15(12-20)2-5-17(16)11-19/h2,5-6,9-12,14,18H,3-4,7-8,13H2,1H3.
What are the key properties of 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde?
6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde has a molecular weight of 298.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 91664543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).