4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde

C15H16O4 — CID 166107369

IUPAC4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
SMILESCOCCOc1cccc2c(OC)ccc(C=O)c12
InChIInChI=1S/C15H16O4/c1-17-8-9-19-14-5-3-4-12-13(18-2)7-6-11(10-16)15(12)14/h3-7,10H,8-9H2,1-2H3
InChIKeyZAMVAEYZDBTSDX-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.69
Rot. Bonds6

About 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde

4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde (PubChem CID 166107369) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
PubChem CID166107369
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
SMILESCOCCOc1cccc2c(OC)ccc(C=O)c12
InChIInChI=1S/C15H16O4/c1-17-8-9-19-14-5-3-4-12-13(18-2)7-6-11(10-16)15(12)14/h3-7,10H,8-9H2,1-2H3
InChIKeyZAMVAEYZDBTSDX-UHFFFAOYSA-N
XLogP2.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.69
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

8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde
CID 166107364
4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11339020
(8-formyl-5-methoxynaphthalen-1-yl) benzoate
CID 12653578
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11736457
4-(2-methoxyethoxy)anthracene-1-carbaldehyde
CID 19738626
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 10016170

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde (CID 166107369) is 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde is COCCOc1cccc2c(OC)ccc(C=O)c12.
What is the InChIKey of 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde?
The InChIKey is ZAMVAEYZDBTSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-17-8-9-19-14-5-3-4-12-13(18-2)7-6-11(10-16)15(12)14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde?
4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde has a molecular weight of 260.29 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 166107369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).