5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde

C21H22O6 — CID 159491845

IUPAC5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde
SMILESCCc1cc(C=O)c(O)c(C=O)c1.Cc1c(C)c(C=O)c(O)c(C=O)c1C
InChIInChI=1S/C11H12O3.C10H10O3/c1-6-7(2)9(4-12)11(14)10(5-13)8(6)3;1-2-7-3-8(5-11)10(13)9(4-7)6-12/h4-5,14H,1-3H3;3-6,13H,2H2,1H3
InChIKeyLYHCXYHZIPYKOL-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.52
Rot. Bonds5

About 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde

5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde (PubChem CID 159491845) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde
PubChem CID159491845
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde
SMILESCCc1cc(C=O)c(O)c(C=O)c1.Cc1c(C)c(C=O)c(O)c(C=O)c1C
InChIInChI=1S/C11H12O3.C10H10O3/c1-6-7(2)9(4-12)11(14)10(5-13)8(6)3;1-2-7-3-8(5-11)10(13)9(4-7)6-12/h4-5,14H,1-3H3;3-6,13H,2H2,1H3
InChIKeyLYHCXYHZIPYKOL-UHFFFAOYSA-N
XLogP3.52
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-hydroxy-6-methylbenzaldehyde
CID 150151746
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium
CID 122631501
4-ethyl-2,6-difluorobenzaldehyde
CID 88881021
ethyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate
CID 169480515
2-ethyl-3,4,5,6-tetramethylbenzaldehyde
CID 71410306
3-hydroxy-5-methoxy-4-methylphthalaldehyde
CID 86129442
2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde
CID 102189647
5-ethyl-3-methyl-1-benzothiophene-7-carbaldehyde
CID 130854642
2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
4-ethyl-2,6-dimethylphenol;methane
CID 159618487

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde (CID 159491845) is 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde is CCc1cc(C=O)c(O)c(C=O)c1.Cc1c(C)c(C=O)c(O)c(C=O)c1C.
What is the InChIKey of 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde?
The InChIKey is LYHCXYHZIPYKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.C10H10O3/c1-6-7(2)9(4-12)11(14)10(5-13)8(6)3;1-2-7-3-8(5-11)10(13)9(4-7)6-12/h4-5,14H,1-3H3;3-6,13H,2H2,1H3.
What are the key properties of 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde?
5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde has a molecular weight of 370.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hydroxybenzene-1,3-dicarbaldehyde;2-hydroxy-4,5,6-trimethylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 159491845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).