6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde

C19H16O5 — CID 10947295

IUPAC6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde
SMILESCOc1cc(-c2cc(C=O)cc3cc(OC)c(O)cc23)ccc1O
InChIInChI=1S/C19H16O5/c1-23-18-7-12(3-4-16(18)21)14-6-11(10-20)5-13-8-19(24-2)17(22)9-15(13)14/h3-10,21-22H,1-2H3
InChIKeyASJBFNXTDMUMBC-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.75
Rot. Bonds4

About 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde

6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde (PubChem CID 10947295) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde
PubChem CID10947295
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde
SMILESCOc1cc(-c2cc(C=O)cc3cc(OC)c(O)cc23)ccc1O
InChIInChI=1S/C19H16O5/c1-23-18-7-12(3-4-16(18)21)14-6-11(10-20)5-13-8-19(24-2)17(22)9-15(13)14/h3-10,21-22H,1-2H3
InChIKeyASJBFNXTDMUMBC-UHFFFAOYSA-N
XLogP3.75
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde?
The IUPAC name of 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde (CID 10947295) is 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde?
The canonical SMILES for 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde is COc1cc(-c2cc(C=O)cc3cc(OC)c(O)cc23)ccc1O.
What is the InChIKey of 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde?
The InChIKey is ASJBFNXTDMUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-23-18-7-12(3-4-16(18)21)14-6-11(10-20)5-13-8-19(24-2)17(22)9-15(13)14/h3-10,21-22H,1-2H3.
What are the key properties of 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde?
6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde has a molecular weight of 324.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 10947295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).