5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde

C15H16O5 — CID 11334863

IUPAC5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
SMILESCOCOc1cc(C=O)cc2c(OC)ccc(OC)c12
InChIInChI=1S/C15H16O5/c1-17-9-20-14-7-10(8-16)6-11-12(18-2)4-5-13(19-3)15(11)14/h4-8H,9H2,1-3H3
InChIKeyXRSNQJTXLPNARA-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.65
Rot. Bonds6

About 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde

5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde (PubChem CID 11334863) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
PubChem CID11334863
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
SMILESCOCOc1cc(C=O)cc2c(OC)ccc(OC)c12
InChIInChI=1S/C15H16O5/c1-17-9-20-14-7-10(8-16)6-11-12(18-2)4-5-13(19-3)15(11)14/h4-8H,9H2,1-3H3
InChIKeyXRSNQJTXLPNARA-UHFFFAOYSA-N
XLogP2.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11339020
1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 11730255
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
4-hydroxy-3-[[3-methoxy-4-(methoxymethoxy)phenyl]methoxy]benzaldehyde
CID 150489508
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
3,4-bis(methoxymethoxy)-5-(3-methylbut-2-enyl)benzaldehyde
CID 57480623
3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde
CID 59560058

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde?
The IUPAC name of 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde (CID 11334863) is 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde.
What is the SMILES notation for 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde?
The canonical SMILES for 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde is COCOc1cc(C=O)cc2c(OC)ccc(OC)c12.
What is the InChIKey of 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde?
The InChIKey is XRSNQJTXLPNARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-17-9-20-14-7-10(8-16)6-11-12(18-2)4-5-13(19-3)15(11)14/h4-8H,9H2,1-3H3.
What are the key properties of 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde?
5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde has a molecular weight of 276.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde is sourced from PubChem (CID 11334863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).