4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde

C23H30O4 — CID 7139107

IUPAC4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde
SMILESCCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C23H30O4/c1-6-8-13-26-22-20(25-5)14-17(16-24)15-21(22)27-19-11-9-18(10-12-19)23(3,4)7-2/h9-12,14-16H,6-8,13H2,1-5H3
InChIKeyYLJGOVJWNLGEJG-UHFFFAOYSA-N
MW370.49 g/mol
LogP6.17
Rot. Bonds10

About 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde

4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde (PubChem CID 7139107) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde.

Molecular Properties

Compound Name4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde
PubChem CID7139107
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde
SMILESCCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C23H30O4/c1-6-8-13-26-22-20(25-5)14-17(16-24)15-21(22)27-19-11-9-18(10-12-19)23(3,4)7-2/h9-12,14-16H,6-8,13H2,1-5H3
InChIKeyYLJGOVJWNLGEJG-UHFFFAOYSA-N
XLogP6.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.17
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

3-chloro-5-methoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzaldehyde
CID 22683491
4-butoxy-3-(2-tert-butyl-4-methoxyphenoxy)-5-methoxybenzaldehyde
CID 7139109
4-butoxy-3-(2-tert-butylphenoxy)-5-methoxybenzaldehyde
CID 7139103
3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
CID 7139023
4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139193
CID 87769001
CID 87769001
4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde
CID 7139106
3-(3-ethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139159
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139008
3-(2,4-dimethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139130
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzaldehyde
CID 170440980

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde?
The IUPAC name of 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde (CID 7139107) is 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde.
What is the SMILES notation for 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde?
The canonical SMILES for 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde is CCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde?
The InChIKey is YLJGOVJWNLGEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-6-8-13-26-22-20(25-5)14-17(16-24)15-21(22)27-19-11-9-18(10-12-19)23(3,4)7-2/h9-12,14-16H,6-8,13H2,1-5H3.
What are the key properties of 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde?
4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde has a molecular weight of 370.49 g/mol, XLogP of 6.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde is sourced from PubChem (CID 7139107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).