2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde

C19H22O2 — CID 54794930

IUPAC2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCCC2CCCCC2)ccc2ccccc12
InChIInChI=1S/C19H22O2/c20-14-18-17-9-5-4-8-16(17)10-11-19(18)21-13-12-15-6-2-1-3-7-15/h4-5,8-11,14-15H,1-3,6-7,12-13H2
InChIKeyIWZWHDHXWNGQAY-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.00
Rot. Bonds5

About 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde

2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde (PubChem CID 54794930) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
PubChem CID54794930
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCCC2CCCCC2)ccc2ccccc12
InChIInChI=1S/C19H22O2/c20-14-18-17-9-5-4-8-16(17)10-11-19(18)21-13-12-15-6-2-1-3-7-15/h4-5,8-11,14-15H,1-3,6-7,12-13H2
InChIKeyIWZWHDHXWNGQAY-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.00
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 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde (CID 54794930) is 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde is O=Cc1c(OCCC2CCCCC2)ccc2ccccc12.
What is the InChIKey of 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde?
The InChIKey is IWZWHDHXWNGQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c20-14-18-17-9-5-4-8-16(17)10-11-19(18)21-13-12-15-6-2-1-3-7-15/h4-5,8-11,14-15H,1-3,6-7,12-13H2.
What are the key properties of 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde?
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde has a molecular weight of 282.38 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 54794930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).