4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde

C25H20O6 — CID 11339020

IUPAC4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
SMILESCOCOc1cccc2c(Oc3cccc4c(OC)ccc(C=O)c34)ccc(C=O)c12
InChIInChI=1S/C25H20O6/c1-28-15-30-22-7-3-6-19-21(12-10-16(13-26)24(19)22)31-23-8-4-5-18-20(29-2)11-9-17(14-27)25(18)23/h3-14H,15H2,1-2H3
InChIKeyJAMIXDVPBMQKMP-UHFFFAOYSA-N
MW416.43 g/mol
LogP5.40
Rot. Bonds8

About 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde

4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde (PubChem CID 11339020) has the molecular formula C25H20O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
PubChem CID11339020
Molecular FormulaC25H20O6
Molecular Weight416.43 g/mol
Exact Mass416.13
IUPAC Name4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
SMILESCOCOc1cccc2c(Oc3cccc4c(OC)ccc(C=O)c34)ccc(C=O)c12
InChIInChI=1S/C25H20O6/c1-28-15-30-22-7-3-6-19-21(12-10-16(13-26)24(19)22)31-23-8-4-5-18-20(29-2)11-9-17(14-27)25(18)23/h3-14H,15H2,1-2H3
InChIKeyJAMIXDVPBMQKMP-UHFFFAOYSA-N
XLogP5.40
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-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

4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 166107369
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11736457
8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde
CID 166107364
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
(8-formyl-5-methoxynaphthalen-1-yl) benzoate
CID 12653578
5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 11334863
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
CID 135012085
2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde
CID 135029975
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769

Frequently Asked Questions

What is the IUPAC name of 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde (CID 11339020) is 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde is COCOc1cccc2c(Oc3cccc4c(OC)ccc(C=O)c34)ccc(C=O)c12.
What is the InChIKey of 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde?
The InChIKey is JAMIXDVPBMQKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O6/c1-28-15-30-22-7-3-6-19-21(12-10-16(13-26)24(19)22)31-23-8-4-5-18-20(29-2)11-9-17(14-27)25(18)23/h3-14H,15H2,1-2H3.
What are the key properties of 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde?
4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde has a molecular weight of 416.43 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 11339020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).