5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde

C19H22O4 — CID 15501148

IUPAC5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde
SMILESCOc1cccc(OC)c1-c1cc(C(C)(C)C)cc(C=O)c1O
InChIInChI=1S/C19H22O4/c1-19(2,3)13-9-12(11-20)18(21)14(10-13)17-15(22-4)7-6-8-16(17)23-5/h6-11,21H,1-5H3
InChIKeyPGMZXUDTTOPCBX-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.19
Rot. Bonds4

About 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde

5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde (PubChem CID 15501148) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde
PubChem CID15501148
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde
SMILESCOc1cccc(OC)c1-c1cc(C(C)(C)C)cc(C=O)c1O
InChIInChI=1S/C19H22O4/c1-19(2,3)13-9-12(11-20)18(21)14(10-13)17-15(22-4)7-6-8-16(17)23-5/h6-11,21H,1-5H3
InChIKeyPGMZXUDTTOPCBX-UHFFFAOYSA-N
XLogP4.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-2-hydroxy-3-(2,4,6-tritert-butylphenyl)benzaldehyde
CID 102018966
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
3-[2,4-bis(trifluoromethyl)phenyl]-5-tert-butyl-2-hydroxybenzaldehyde
CID 86718721
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde
CID 126763378

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde (CID 15501148) is 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde is COc1cccc(OC)c1-c1cc(C(C)(C)C)cc(C=O)c1O.
What is the InChIKey of 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde?
The InChIKey is PGMZXUDTTOPCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-19(2,3)13-9-12(11-20)18(21)14(10-13)17-15(22-4)7-6-8-16(17)23-5/h6-11,21H,1-5H3.
What are the key properties of 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde?
5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde has a molecular weight of 314.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 15501148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).