4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde

C24H26O4 — CID 7139193

IUPAC4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
SMILESCCCCCCOc1c(OC)cc(C=O)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C24H26O4/c1-3-4-5-8-13-27-24-22(26-2)14-18(17-25)15-23(24)28-21-12-11-19-9-6-7-10-20(19)16-21/h6-7,9-12,14-17H,3-5,8,13H2,1-2H3
InChIKeyYGWCROSQOSXQNI-UHFFFAOYSA-N
MW378.47 g/mol
LogP6.41
Rot. Bonds10

About 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde

4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde (PubChem CID 7139193) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde.

Molecular Properties

Compound Name4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
PubChem CID7139193
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
SMILESCCCCCCOc1c(OC)cc(C=O)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C24H26O4/c1-3-4-5-8-13-27-24-22(26-2)14-18(17-25)15-23(24)28-21-12-11-19-9-6-7-10-20(19)16-21/h6-7,9-12,14-17H,3-5,8,13H2,1-2H3
InChIKeyYGWCROSQOSXQNI-UHFFFAOYSA-N
XLogP6.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 56.41
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

4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139008
3-(3-ethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139159
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde
CID 7139107
4-butoxy-3-(2-tert-butylphenoxy)-5-methoxybenzaldehyde
CID 7139103
3,4,5-trihexoxybenzaldehyde
CID 15316903
3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
CID 7139023
3-(2,4-dimethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139130
4-butoxy-3-(2-tert-butyl-4-methoxyphenoxy)-5-methoxybenzaldehyde
CID 7139109
CID 87769001
CID 87769001
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde
CID 7139106

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde?
The IUPAC name of 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde (CID 7139193) is 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde.
What is the SMILES notation for 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde?
The canonical SMILES for 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde is CCCCCCOc1c(OC)cc(C=O)cc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde?
The InChIKey is YGWCROSQOSXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-3-4-5-8-13-27-24-22(26-2)14-18(17-25)15-23(24)28-21-12-11-19-9-6-7-10-20(19)16-21/h6-7,9-12,14-17H,3-5,8,13H2,1-2H3.
What are the key properties of 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde?
4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde has a molecular weight of 378.47 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde is sourced from PubChem (CID 7139193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).