2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde

C16H16O3 — CID 158794546

IUPAC2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
SMILESCc1cccc(C)c1C=O.O=Cc1ccc(O)cc1
InChIInChI=1S/C9H10O.C7H6O2/c1-7-4-3-5-8(2)9(7)6-10;8-5-6-1-3-7(9)4-2-6/h3-6H,1-2H3;1-5,9H
InChIKeyISRYBTXQMYXRDL-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.32
Rot. Bonds2

About 2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde

2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde (PubChem CID 158794546) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
PubChem CID158794546
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
SMILESCc1cccc(C)c1C=O.O=Cc1ccc(O)cc1
InChIInChI=1S/C9H10O.C7H6O2/c1-7-4-3-5-8(2)9(7)6-10;8-5-6-1-3-7(9)4-2-6/h3-6H,1-2H3;1-5,9H
InChIKeyISRYBTXQMYXRDL-UHFFFAOYSA-N
XLogP3.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylbenzaldehyde
CID 159545887
2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
CID 159655150
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
acetic acid;4-hydroxybenzaldehyde
CID 86610069
ethanol;4-hydroxybenzaldehyde
CID 172788634
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
chloroethane;4-hydroxybenzaldehyde
CID 174574301
fluoroform;4-hydroxybenzaldehyde
CID 158009924
ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde
CID 136654998
2-amino-6-methylbenzaldehyde
CID 23046538
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde?
The IUPAC name of 2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde (CID 158794546) is 2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde.
What is the SMILES notation for 2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde?
The canonical SMILES for 2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde is Cc1cccc(C)c1C=O.O=Cc1ccc(O)cc1.
What is the InChIKey of 2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde?
The InChIKey is ISRYBTXQMYXRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C7H6O2/c1-7-4-3-5-8(2)9(7)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-dimethylbenzaldehyde;4-hydroxybenzaldehyde?
2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde is sourced from PubChem (CID 158794546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).