6-(4-phenylpentoxy)naphthalene-2-carbaldehyde

C22H22O2 — CID 86087676

IUPAC6-(4-phenylpentoxy)naphthalene-2-carbaldehyde
SMILESCC(CCCOc1ccc2cc(C=O)ccc2c1)c1ccccc1
InChIInChI=1S/C22H22O2/c1-17(19-7-3-2-4-8-19)6-5-13-24-22-12-11-20-14-18(16-23)9-10-21(20)15-22/h2-4,7-12,14-17H,5-6,13H2,1H3
InChIKeyQNOXVZKKHSEEHQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.61
Rot. Bonds7

About 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde

6-(4-phenylpentoxy)naphthalene-2-carbaldehyde (PubChem CID 86087676) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-phenylpentoxy)naphthalene-2-carbaldehyde
PubChem CID86087676
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name6-(4-phenylpentoxy)naphthalene-2-carbaldehyde
SMILESCC(CCCOc1ccc2cc(C=O)ccc2c1)c1ccccc1
InChIInChI=1S/C22H22O2/c1-17(19-7-3-2-4-8-19)6-5-13-24-22-12-11-20-14-18(16-23)9-10-21(20)15-22/h2-4,7-12,14-17H,5-6,13H2,1H3
InChIKeyQNOXVZKKHSEEHQ-UHFFFAOYSA-N
XLogP5.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde?
The IUPAC name of 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde (CID 86087676) is 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde?
The canonical SMILES for 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde is CC(CCCOc1ccc2cc(C=O)ccc2c1)c1ccccc1.
What is the InChIKey of 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde?
The InChIKey is QNOXVZKKHSEEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-17(19-7-3-2-4-8-19)6-5-13-24-22-12-11-20-14-18(16-23)9-10-21(20)15-22/h2-4,7-12,14-17H,5-6,13H2,1H3.
What are the key properties of 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde?
6-(4-phenylpentoxy)naphthalene-2-carbaldehyde has a molecular weight of 318.42 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpentoxy)naphthalene-2-carbaldehyde is sourced from PubChem (CID 86087676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).