3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde

C20H18O4 — CID 22685612

IUPAC3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H18O4/c1-22-19-8-4-7-17(14-21)20(19)24-12-11-23-18-10-9-15-5-2-3-6-16(15)13-18/h2-10,13-14H,11-12H2,1H3
InChIKeyAIZIMFDSCZVQOI-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.12
Rot. Bonds7

About 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde

3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde (PubChem CID 22685612) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
PubChem CID22685612
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H18O4/c1-22-19-8-4-7-17(14-21)20(19)24-12-11-23-18-10-9-15-5-2-3-6-16(15)13-18/h2-10,13-14H,11-12H2,1H3
InChIKeyAIZIMFDSCZVQOI-UHFFFAOYSA-N
XLogP4.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde
CID 58518892
2-buta-2,3-dienoxy-3-methoxybenzaldehyde
CID 25034027
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
CID 2200049
2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20990983
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde (CID 22685612) is 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde is COc1cccc(C=O)c1OCCOc1ccc2ccccc2c1.
What is the InChIKey of 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde?
The InChIKey is AIZIMFDSCZVQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-22-19-8-4-7-17(14-21)20(19)24-12-11-23-18-10-9-15-5-2-3-6-16(15)13-18/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde?
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde has a molecular weight of 322.36 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde is sourced from PubChem (CID 22685612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).