2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde

C17H12O3 — CID 87762112

IUPAC2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2O)ccc2ccccc12
InChIInChI=1S/C17H12O3/c18-10-16-13-4-2-1-3-11(13)5-7-14(16)15-8-6-12(19)9-17(15)20/h1-10,19-20H
InChIKeyBONIHTBPEGOWEW-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.73
Rot. Bonds2

About 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde

2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde (PubChem CID 87762112) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde
PubChem CID87762112
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2O)ccc2ccccc12
InChIInChI=1S/C17H12O3/c18-10-16-13-4-2-1-3-11(13)5-7-14(16)15-8-6-12(19)9-17(15)20/h1-10,19-20H
InChIKeyBONIHTBPEGOWEW-UHFFFAOYSA-N
XLogP3.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
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 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde (CID 87762112) is 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde is O=Cc1c(-c2ccc(O)cc2O)ccc2ccccc12.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde?
The InChIKey is BONIHTBPEGOWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-10-16-13-4-2-1-3-11(13)5-7-14(16)15-8-6-12(19)9-17(15)20/h1-10,19-20H.
What are the key properties of 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde?
2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde has a molecular weight of 264.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 87762112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).