6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde

C19H14O3 — CID 126763631

IUPAC6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
SMILESCC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C19H14O3/c1-12(21)13-3-2-4-14(9-13)15-5-7-17-16(10-15)6-8-19(22)18(17)11-20/h2-11,22H,1H3
InChIKeyCRBZRVJNQMUWAE-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.23
Rot. Bonds3

About 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde

6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde (PubChem CID 126763631) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
PubChem CID126763631
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
SMILESCC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1
InChIInChI=1S/C19H14O3/c1-12(21)13-3-2-4-14(9-13)15-5-7-17-16(10-15)6-8-19(22)18(17)11-20/h2-11,22H,1H3
InChIKeyCRBZRVJNQMUWAE-UHFFFAOYSA-N
XLogP4.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde (CID 126763631) is 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde is CC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1.
What is the InChIKey of 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is CRBZRVJNQMUWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-12(21)13-3-2-4-14(9-13)15-5-7-17-16(10-15)6-8-19(22)18(17)11-20/h2-11,22H,1H3.
What are the key properties of 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde?
6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 290.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 126763631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).