4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde

C18H20O3 — CID 15714587

IUPAC4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde
SMILESCCCc1ccc(OC)c(-c2cc(C=O)ccc2OC)c1
InChIInChI=1S/C18H20O3/c1-4-5-13-6-8-17(20-2)15(10-13)16-11-14(12-19)7-9-18(16)21-3/h6-12H,4-5H2,1-3H3
InChIKeySROHCFOSRKGKQS-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.14
Rot. Bonds6

About 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde

4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde (PubChem CID 15714587) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde
PubChem CID15714587
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde
SMILESCCCc1ccc(OC)c(-c2cc(C=O)ccc2OC)c1
InChIInChI=1S/C18H20O3/c1-4-5-13-6-8-17(20-2)15(10-13)16-11-14(12-19)7-9-18(16)21-3/h6-12H,4-5H2,1-3H3
InChIKeySROHCFOSRKGKQS-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene
CID 45267390
3-(2-butyl-1-benzofuran-3-yl)-4-methoxybenzaldehyde
CID 163304136
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde
CID 82039287
3-(cyclohexen-1-yl)-4-methoxybenzaldehyde
CID 166845067
4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
CID 39222044
4-(2-methoxy-5-propylphenyl)-1,3-thiazole
CID 3562568
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde?
The IUPAC name of 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde (CID 15714587) is 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde is CCCc1ccc(OC)c(-c2cc(C=O)ccc2OC)c1.
What is the InChIKey of 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde?
The InChIKey is SROHCFOSRKGKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-5-13-6-8-17(20-2)15(10-13)16-11-14(12-19)7-9-18(16)21-3/h6-12H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde?
4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde has a molecular weight of 284.36 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde is sourced from PubChem (CID 15714587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).