4-(2-methoxyethoxy)anthracene-1-carbaldehyde

C18H16O3 — CID 19738626

IUPAC4-(2-methoxyethoxy)anthracene-1-carbaldehyde
SMILESCOCCOc1ccc(C=O)c2cc3ccccc3cc12
InChIInChI=1S/C18H16O3/c1-20-8-9-21-18-7-6-15(12-19)16-10-13-4-2-3-5-14(13)11-17(16)18/h2-7,10-12H,8-9H2,1H3
InChIKeyGJFOATAANXWXCA-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.83
Rot. Bonds5

About 4-(2-methoxyethoxy)anthracene-1-carbaldehyde

4-(2-methoxyethoxy)anthracene-1-carbaldehyde (PubChem CID 19738626) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)anthracene-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-methoxyethoxy)anthracene-1-carbaldehyde
PubChem CID19738626
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name4-(2-methoxyethoxy)anthracene-1-carbaldehyde
SMILESCOCCOc1ccc(C=O)c2cc3ccccc3cc12
InChIInChI=1S/C18H16O3/c1-20-8-9-21-18-7-6-15(12-19)16-10-13-4-2-3-5-14(13)11-17(16)18/h2-7,10-12H,8-9H2,1H3
InChIKeyGJFOATAANXWXCA-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-(2-methoxyethoxy)anthracene-1-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 166107369
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 144623852
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
10-methoxyanthracene-1-carbaldehyde
CID 139642405
3-formyl-2-(2-methoxyethoxy)benzonitrile
CID 177016506
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)anthracene-1-carbaldehyde?
The IUPAC name of 4-(2-methoxyethoxy)anthracene-1-carbaldehyde (CID 19738626) is 4-(2-methoxyethoxy)anthracene-1-carbaldehyde.
What is the SMILES notation for 4-(2-methoxyethoxy)anthracene-1-carbaldehyde?
The canonical SMILES for 4-(2-methoxyethoxy)anthracene-1-carbaldehyde is COCCOc1ccc(C=O)c2cc3ccccc3cc12.
What is the InChIKey of 4-(2-methoxyethoxy)anthracene-1-carbaldehyde?
The InChIKey is GJFOATAANXWXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-20-8-9-21-18-7-6-15(12-19)16-10-13-4-2-3-5-14(13)11-17(16)18/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)anthracene-1-carbaldehyde?
4-(2-methoxyethoxy)anthracene-1-carbaldehyde has a molecular weight of 280.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)anthracene-1-carbaldehyde is sourced from PubChem (CID 19738626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).