2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde

C15H14O2 — CID 4737132

IUPAC2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
SMILESC=C(C)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C15H14O2/c1-11(2)10-17-15-8-7-12-5-3-4-6-13(12)14(15)9-16/h3-9H,1,10H2,2H3
InChIKeyGXDYMOAXZBWJHS-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.61
Rot. Bonds4

About 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde

2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde (PubChem CID 4737132) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
PubChem CID4737132
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
SMILESC=C(C)COc1ccc2ccccc2c1C=O
InChIInChI=1S/C15H14O2/c1-11(2)10-17-15-8-7-12-5-3-4-6-13(12)14(15)9-16/h3-9H,1,10H2,2H3
InChIKeyGXDYMOAXZBWJHS-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
1,2-bis(2-methylprop-2-enoxy)naphthalene
CID 139631746
(1-formylnaphthalen-2-yl) acetate
CID 2063426
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344
2-(1-formylnaphthalen-2-yl)oxy-N,N-diphenylacetamide
CID 28913283
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
CID 63677261
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde (CID 4737132) is 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde is C=C(C)COc1ccc2ccccc2c1C=O.
What is the InChIKey of 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde?
The InChIKey is GXDYMOAXZBWJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11(2)10-17-15-8-7-12-5-3-4-6-13(12)14(15)9-16/h3-9H,1,10H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde?
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 4737132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).