4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde

C19H22O3 — CID 22633162

IUPAC4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde
SMILESCOc1cc(C=O)c(-c2ccc(CC(C)C)c(C)c2)cc1O
InChIInChI=1S/C19H22O3/c1-12(2)7-14-5-6-15(8-13(14)3)17-10-18(21)19(22-4)9-16(17)11-20/h5-6,8-12,21H,7H2,1-4H3
InChIKeyRDVZUSSMQCYDJP-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.39
Rot. Bonds5

About 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde

4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde (PubChem CID 22633162) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde
PubChem CID22633162
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde
SMILESCOc1cc(C=O)c(-c2ccc(CC(C)C)c(C)c2)cc1O
InChIInChI=1S/C19H22O3/c1-12(2)7-14-5-6-15(8-13(14)3)17-10-18(21)19(22-4)9-16(17)11-20/h5-6,8-12,21H,7H2,1-4H3
InChIKeyRDVZUSSMQCYDJP-UHFFFAOYSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde?
The IUPAC name of 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde (CID 22633162) is 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde?
The canonical SMILES for 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde is COc1cc(C=O)c(-c2ccc(CC(C)C)c(C)c2)cc1O.
What is the InChIKey of 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde?
The InChIKey is RDVZUSSMQCYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-12(2)7-14-5-6-15(8-13(14)3)17-10-18(21)19(22-4)9-16(17)11-20/h5-6,8-12,21H,7H2,1-4H3.
What are the key properties of 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde?
4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde has a molecular weight of 298.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde is sourced from PubChem (CID 22633162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).