2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde

C11H14O3 — CID 102189647

IUPAC2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde
SMILESCCc1c(C)c(O)c(C)c(O)c1C=O
InChIInChI=1S/C11H14O3/c1-4-8-6(2)10(13)7(3)11(14)9(8)5-12/h5,13-14H,4H2,1-3H3
InChIKeyUVMVOFJDJJPWBT-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.09
Rot. Bonds2

About 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde

2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde (PubChem CID 102189647) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde
PubChem CID102189647
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde
SMILESCCc1c(C)c(O)c(C)c(O)c1C=O
InChIInChI=1S/C11H14O3/c1-4-8-6(2)10(13)7(3)11(14)9(8)5-12/h5,13-14H,4H2,1-3H3
InChIKeyUVMVOFJDJJPWBT-UHFFFAOYSA-N
XLogP2.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3,4,5,6-tetramethylbenzaldehyde
CID 71410306
3,5-dichloro-2-ethyl-4,6-dihydroxybenzaldehyde
CID 89435884
3-formyl-2,4,6-trihydroxy-5-methylbenzoic acid
CID 175200191
3-ethyl-5-(4-ethyl-5-formyl-3-methyl-1H-pyrrol-2-yl)-4-methyl-1H-pyrrole-2-carbaldehyde
CID 10967646
3-ethyl-4-hydroxy-2-methylbenzaldehyde
CID 88956319
4-ethyl-2-hydroxy-6-methylbenzaldehyde
CID 150151746
5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde
CID 159491845
4,5-diethyl-3-methyl-1H-pyrrole-2-carbaldehyde
CID 44718413
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
4-chloro-2,6-diethyl-3,5-dimethylphenol
CID 175454218
3-ethyl-5,6-dimethylbenzene-1,2,4-triol
CID 130033537
2,4,6-triethylbenzene-1,3-dicarbaldehyde
CID 14870631

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde?
The IUPAC name of 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde (CID 102189647) is 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde?
The canonical SMILES for 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde is CCc1c(C)c(O)c(C)c(O)c1C=O.
What is the InChIKey of 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde?
The InChIKey is UVMVOFJDJJPWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-8-6(2)10(13)7(3)11(14)9(8)5-12/h5,13-14H,4H2,1-3H3.
What are the key properties of 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde?
2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 102189647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).