6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde

C18H20O2 — CID 118243893

IUPAC6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
SMILESCC1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C18H20O2/c1-13-2-7-17(8-3-13)20-18-9-6-15-10-14(12-19)4-5-16(15)11-18/h4-6,9-13,17H,2-3,7-8H2,1H3
InChIKeyPVBNIEURNYAECC-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.61
Rot. Bonds3

About 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde

6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde (PubChem CID 118243893) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
PubChem CID118243893
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
SMILESCC1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C18H20O2/c1-13-2-7-17(8-3-13)20-18-9-6-15-10-14(12-19)4-5-16(15)11-18/h4-6,9-13,17H,2-3,7-8H2,1H3
InChIKeyPVBNIEURNYAECC-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde?
The IUPAC name of 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde (CID 118243893) is 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde?
The canonical SMILES for 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde is CC1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1.
What is the InChIKey of 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde?
The InChIKey is PVBNIEURNYAECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-2-7-17(8-3-13)20-18-9-6-15-10-14(12-19)4-5-16(15)11-18/h4-6,9-13,17H,2-3,7-8H2,1H3.
What are the key properties of 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde?
6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde has a molecular weight of 268.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 118243893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).