3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde

C20H24O4 — CID 7139023

IUPAC3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
SMILESCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24O4/c1-5-10-23-20-18(22-4)11-15(13-21)12-19(20)24-17-8-6-16(7-9-17)14(2)3/h6-9,11-14H,5,10H2,1-4H3
InChIKeyHNWTUEALTNELPR-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.21
Rot. Bonds8

About 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde

3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde (PubChem CID 7139023) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde.

Molecular Properties

Compound Name3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
PubChem CID7139023
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
SMILESCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24O4/c1-5-10-23-20-18(22-4)11-15(13-21)12-19(20)24-17-8-6-16(7-9-17)14(2)3/h6-9,11-14H,5,10H2,1-4H3
InChIKeyHNWTUEALTNELPR-UHFFFAOYSA-N
XLogP5.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3-methoxy-5-[4-(2-methylbutan-2-yl)phenoxy]benzaldehyde
CID 7139107
4-hexoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139193
3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22684618
4-ethoxy-3-methoxy-5-naphthalen-2-yloxybenzaldehyde
CID 7139008
4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
CID 105405402
3-(3-ethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139159
4-butoxy-3-(2-tert-butyl-4-methoxyphenoxy)-5-methoxybenzaldehyde
CID 7139109
CID 87769001
CID 87769001
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812
4-butoxy-3-(2-tert-butylphenoxy)-5-methoxybenzaldehyde
CID 7139103

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde?
The IUPAC name of 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde (CID 7139023) is 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde.
What is the SMILES notation for 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde?
The canonical SMILES for 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde is CCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)C)cc1.
What is the InChIKey of 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde?
The InChIKey is HNWTUEALTNELPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-5-10-23-20-18(22-4)11-15(13-21)12-19(20)24-17-8-6-16(7-9-17)14(2)3/h6-9,11-14H,5,10H2,1-4H3.
What are the key properties of 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde?
3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde has a molecular weight of 328.41 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde is sourced from PubChem (CID 7139023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).