1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde

C15H14O2 — CID 170477329

IUPAC1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1C=CCCO
InChIInChI=1S/C15H14O2/c16-10-4-3-7-15-13(11-17)9-8-12-5-1-2-6-14(12)15/h1-3,5-9,11,16H,4,10H2
InChIKeyLYSJFTDKXXGVIA-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde

1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde (PubChem CID 170477329) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde
PubChem CID170477329
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1C=CCCO
InChIInChI=1S/C15H14O2/c16-10-4-3-7-15-13(11-17)9-8-12-5-1-2-6-14(12)15/h1-3,5-9,11,16H,4,10H2
InChIKeyLYSJFTDKXXGVIA-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
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 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde?
The IUPAC name of 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde (CID 170477329) is 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde?
The canonical SMILES for 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde is O=Cc1ccc2ccccc2c1C=CCCO.
What is the InChIKey of 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde?
The InChIKey is LYSJFTDKXXGVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-10-4-3-7-15-13(11-17)9-8-12-5-1-2-6-14(12)15/h1-3,5-9,11,16H,4,10H2.
What are the key properties of 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde?
1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 170477329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).