1,4-diethoxynaphthalene-2,3-dicarbaldehyde

C16H16O4 — CID 88868655

IUPAC1,4-diethoxynaphthalene-2,3-dicarbaldehyde
SMILESCCOc1c(C=O)c(C=O)c(OCC)c2ccccc12
InChIInChI=1S/C16H16O4/c1-3-19-15-11-7-5-6-8-12(11)16(20-4-2)14(10-18)13(15)9-17/h5-10H,3-4H2,1-2H3
InChIKeyFUPHSTAPKIINFE-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.26
Rot. Bonds6

About 1,4-diethoxynaphthalene-2,3-dicarbaldehyde

1,4-diethoxynaphthalene-2,3-dicarbaldehyde (PubChem CID 88868655) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1,4-diethoxynaphthalene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name1,4-diethoxynaphthalene-2,3-dicarbaldehyde
PubChem CID88868655
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1,4-diethoxynaphthalene-2,3-dicarbaldehyde
SMILESCCOc1c(C=O)c(C=O)c(OCC)c2ccccc12
InChIInChI=1S/C16H16O4/c1-3-19-15-11-7-5-6-8-12(11)16(20-4-2)14(10-18)13(15)9-17/h5-10H,3-4H2,1-2H3
InChIKeyFUPHSTAPKIINFE-UHFFFAOYSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
2,3-dimethyl-4-propoxynaphthalene-1-carbaldehyde
CID 86627230
9,10-diethoxy-1,4-dihydroanthracene
CID 139881185
anthracene-9,10-dicarbaldehyde;dihydrochloride
CID 19762841
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2,3,4,6-tetrachloro-5-ethoxybenzaldehyde
CID 131857885
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
3-bromo-2-ethoxy-4,6-dihydroxybenzaldehyde
CID 134963493
3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
CID 171085182
9,10-diethoxyanthracen-2-ol
CID 139656119
3-ethoxy-6-methylphthalaldehyde
CID 171004125

Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxynaphthalene-2,3-dicarbaldehyde?
The IUPAC name of 1,4-diethoxynaphthalene-2,3-dicarbaldehyde (CID 88868655) is 1,4-diethoxynaphthalene-2,3-dicarbaldehyde.
What is the SMILES notation for 1,4-diethoxynaphthalene-2,3-dicarbaldehyde?
The canonical SMILES for 1,4-diethoxynaphthalene-2,3-dicarbaldehyde is CCOc1c(C=O)c(C=O)c(OCC)c2ccccc12.
What is the InChIKey of 1,4-diethoxynaphthalene-2,3-dicarbaldehyde?
The InChIKey is FUPHSTAPKIINFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-19-15-11-7-5-6-8-12(11)16(20-4-2)14(10-18)13(15)9-17/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,4-diethoxynaphthalene-2,3-dicarbaldehyde?
1,4-diethoxynaphthalene-2,3-dicarbaldehyde has a molecular weight of 272.30 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxynaphthalene-2,3-dicarbaldehyde is sourced from PubChem (CID 88868655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).