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

C15H16O2 — CID 126699498

IUPAC6-(4-hydroxybutyl)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(CCCCO)ccc2c1
InChIInChI=1S/C15H16O2/c16-8-2-1-3-12-4-6-15-10-13(11-17)5-7-14(15)9-12/h4-7,9-11,16H,1-3,8H2
InChIKeyHIBLGQMXDWYEKH-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.97
Rot. Bonds5

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

6-(4-hydroxybutyl)naphthalene-2-carbaldehyde (PubChem CID 126699498) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-(4-hydroxybutyl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-hydroxybutyl)naphthalene-2-carbaldehyde
PubChem CID126699498
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name6-(4-hydroxybutyl)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(CCCCO)ccc2c1
InChIInChI=1S/C15H16O2/c16-8-2-1-3-12-4-6-15-10-13(11-17)5-7-14(15)9-12/h4-7,9-11,16H,1-3,8H2
InChIKeyHIBLGQMXDWYEKH-UHFFFAOYSA-N
XLogP2.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
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-hydroxybutyl)naphthalene-2-carbaldehyde?
The IUPAC name of 6-(4-hydroxybutyl)naphthalene-2-carbaldehyde (CID 126699498) is 6-(4-hydroxybutyl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(4-hydroxybutyl)naphthalene-2-carbaldehyde?
The canonical SMILES for 6-(4-hydroxybutyl)naphthalene-2-carbaldehyde is O=Cc1ccc2cc(CCCCO)ccc2c1.
What is the InChIKey of 6-(4-hydroxybutyl)naphthalene-2-carbaldehyde?
The InChIKey is HIBLGQMXDWYEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c16-8-2-1-3-12-4-6-15-10-13(11-17)5-7-14(15)9-12/h4-7,9-11,16H,1-3,8H2.
What are the key properties of 6-(4-hydroxybutyl)naphthalene-2-carbaldehyde?
6-(4-hydroxybutyl)naphthalene-2-carbaldehyde has a molecular weight of 228.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybutyl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 126699498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).