3,4-dihydronaphthalene-2-carbaldehyde;hydron

C11H11O+ — CID 174414426

IUPAC3,4-dihydronaphthalene-2-carbaldehyde;hydron
SMILESO=CC1=Cc2ccccc2CC1.[H+]
InChIInChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,7-8H,5-6H2/p+1
InChIKeyMMKNAQOTHPHFHG-UHFFFAOYSA-O
MW159.21 g/mol
LogP2.33
Rot. Bonds1

About 3,4-dihydronaphthalene-2-carbaldehyde;hydron

3,4-dihydronaphthalene-2-carbaldehyde;hydron (PubChem CID 174414426) has the molecular formula C11H11O+ and a molecular weight of 159.21 g/mol. Its IUPAC name is 3,4-dihydronaphthalene-2-carbaldehyde;hydron.

Molecular Properties

Compound Name3,4-dihydronaphthalene-2-carbaldehyde;hydron
PubChem CID174414426
Molecular FormulaC11H11O+
Molecular Weight159.21 g/mol
Exact Mass159.08
IUPAC Name3,4-dihydronaphthalene-2-carbaldehyde;hydron
SMILESO=CC1=Cc2ccccc2CC1.[H+]
InChIInChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,7-8H,5-6H2/p+1
InChIKeyMMKNAQOTHPHFHG-UHFFFAOYSA-O
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dihydronaphthalene-2-carbaldehyde;hydron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydronaphthalene-2-carbaldehyde;hydron?
The IUPAC name of 3,4-dihydronaphthalene-2-carbaldehyde;hydron (CID 174414426) is 3,4-dihydronaphthalene-2-carbaldehyde;hydron.
What is the SMILES notation for 3,4-dihydronaphthalene-2-carbaldehyde;hydron?
The canonical SMILES for 3,4-dihydronaphthalene-2-carbaldehyde;hydron is O=CC1=Cc2ccccc2CC1.[H+].
What is the InChIKey of 3,4-dihydronaphthalene-2-carbaldehyde;hydron?
The InChIKey is MMKNAQOTHPHFHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,7-8H,5-6H2/p+1.
What are the key properties of 3,4-dihydronaphthalene-2-carbaldehyde;hydron?
3,4-dihydronaphthalene-2-carbaldehyde;hydron has a molecular weight of 159.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydronaphthalene-2-carbaldehyde;hydron is sourced from PubChem (CID 174414426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).