2-hydroxynaphthalene-1-carbaldehyde

C11H8O2 — CID 12819

IUPAC2-hydroxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
InChIKeyNTCCNERMXRIPTR-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.36
Rot. Bonds1

About 2-hydroxynaphthalene-1-carbaldehyde

2-hydroxynaphthalene-1-carbaldehyde (PubChem CID 12819) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxynaphthalene-1-carbaldehyde
PubChem CID12819
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name2-hydroxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
InChIKeyNTCCNERMXRIPTR-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.36
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 2-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxynaphthalene-1-carbaldehyde (CID 12819) is 2-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxynaphthalene-1-carbaldehyde is O=Cc1c(O)ccc2ccccc12.
What is the InChIKey of 2-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is NTCCNERMXRIPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H.
What are the key properties of 2-hydroxynaphthalene-1-carbaldehyde?
2-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 172.18 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 12819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).