2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde

C16H16O5 — CID 159655150

IUPAC2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
SMILESCOc1cccc(OC)c1C=O.O=Cc1ccc(O)cc1
InChIInChI=1S/C9H10O3.C7H6O2/c1-11-8-4-3-5-9(12-2)7(8)6-10;8-5-6-1-3-7(9)4-2-6/h3-6H,1-2H3;1-5,9H
InChIKeyMSBPZBCVERMDLF-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.72
Rot. Bonds4

About 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde

2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde (PubChem CID 159655150) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
PubChem CID159655150
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
SMILESCOc1cccc(OC)c1C=O.O=Cc1ccc(O)cc1
InChIInChI=1S/C9H10O3.C7H6O2/c1-11-8-4-3-5-9(12-2)7(8)6-10;8-5-6-1-3-7(9)4-2-6/h3-6H,1-2H3;1-5,9H
InChIKeyMSBPZBCVERMDLF-UHFFFAOYSA-N
XLogP2.72
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
CID 158794546
ethanol;4-hydroxybenzaldehyde
CID 172788634
4-hydroxybenzaldehyde;2,4,5-trimethoxybenzoic acid
CID 157275150
2-(2-formylphenoxy)-6-methoxybenzaldehyde
CID 102334226
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
acetic acid;4-hydroxybenzaldehyde
CID 86610069
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
chloroethane;4-hydroxybenzaldehyde
CID 174574301
2-[2-(4-hydroxyphenyl)ethenyl]-6-methoxybenzoic acid
CID 162893724
2-hydroxy-3-methoxybenzaldehyde
CID 8991
3-hydroxy-4-methoxybenzaldehyde
CID 87256894

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde?
The IUPAC name of 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde (CID 159655150) is 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde.
What is the SMILES notation for 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde?
The canonical SMILES for 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde is COc1cccc(OC)c1C=O.O=Cc1ccc(O)cc1.
What is the InChIKey of 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde?
The InChIKey is MSBPZBCVERMDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C7H6O2/c1-11-8-4-3-5-9(12-2)7(8)6-10;8-5-6-1-3-7(9)4-2-6/h3-6H,1-2H3;1-5,9H.
What are the key properties of 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde?
2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde has a molecular weight of 288.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde is sourced from PubChem (CID 159655150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).