4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde

C23H30O4 — CID 7139106

IUPAC4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde
SMILESCCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C23H30O4/c1-7-8-11-26-22-20(25-6)13-17(15-24)14-21(22)27-19-10-9-16(2)12-18(19)23(3,4)5/h9-10,12-15H,7-8,11H2,1-6H3
InChIKeyGTVFMUBYAJIUTH-UHFFFAOYSA-N
MW370.49 g/mol
LogP6.08
Rot. Bonds8

About 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde

4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde (PubChem CID 7139106) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde
PubChem CID7139106
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde
SMILESCCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C23H30O4/c1-7-8-11-26-22-20(25-6)13-17(15-24)14-21(22)27-19-10-9-16(2)12-18(19)23(3,4)5/h9-10,12-15H,7-8,11H2,1-6H3
InChIKeyGTVFMUBYAJIUTH-UHFFFAOYSA-N
XLogP6.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.08
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-butoxy-3-(2-tert-butyl-4-methoxyphenoxy)-5-methoxybenzaldehyde
CID 7139109
4-butoxy-3-(2-tert-butylphenoxy)-5-methoxybenzaldehyde
CID 7139103
3-(2,4-dimethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139130
3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde
CID 7138957
4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde
CID 7139107
CID 87769001
CID 87769001
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139193
3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
CID 7139023
3-(3-ethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139159
butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium
CID 2262501
3,4,5-trihexoxybenzaldehyde
CID 15316903

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde?
The IUPAC name of 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde (CID 7139106) is 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde.
What is the SMILES notation for 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde?
The canonical SMILES for 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde is CCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde?
The InChIKey is GTVFMUBYAJIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-7-8-11-26-22-20(25-6)13-17(15-24)14-21(22)27-19-10-9-16(2)12-18(19)23(3,4)5/h9-10,12-15H,7-8,11H2,1-6H3.
What are the key properties of 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde?
4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde has a molecular weight of 370.49 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde is sourced from PubChem (CID 7139106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).