3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde

C16H16O3 — CID 89022772

IUPAC3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde
SMILESCOc1cc(O)cc(C)c1-c1cccc(C=O)c1C
InChIInChI=1S/C16H16O3/c1-10-7-13(18)8-15(19-3)16(10)14-6-4-5-12(9-17)11(14)2/h4-9,18H,1-3H3
InChIKeyKGCIDBSHQWTELF-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.50
Rot. Bonds3

About 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde

3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde (PubChem CID 89022772) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde
PubChem CID89022772
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde
SMILESCOc1cc(O)cc(C)c1-c1cccc(C=O)c1C
InChIInChI=1S/C16H16O3/c1-10-7-13(18)8-15(19-3)16(10)14-6-4-5-12(9-17)11(14)2/h4-9,18H,1-3H3
InChIKeyKGCIDBSHQWTELF-UHFFFAOYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.50
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 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde?
The IUPAC name of 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde (CID 89022772) is 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde.
What is the SMILES notation for 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde?
The canonical SMILES for 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde is COc1cc(O)cc(C)c1-c1cccc(C=O)c1C.
What is the InChIKey of 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde?
The InChIKey is KGCIDBSHQWTELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-7-13(18)8-15(19-3)16(10)14-6-4-5-12(9-17)11(14)2/h4-9,18H,1-3H3.
What are the key properties of 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde?
3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-methoxy-6-methylphenyl)-2-methylbenzaldehyde is sourced from PubChem (CID 89022772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).