3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde

C20H22O2 — CID 14915371

IUPAC3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde
SMILESCc1cc(C)c(-c2c(C)cc(C)c(C=O)c2C)c(C)c1C=O
InChIInChI=1S/C20H22O2/c1-11-7-13(3)19(15(5)17(11)9-21)20-14(4)8-12(2)18(10-22)16(20)6/h7-10H,1-6H3
InChIKeyNRTZHKWJJDMKOA-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.83
Rot. Bonds3

About 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde

3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde (PubChem CID 14915371) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde.

Molecular Properties

Compound Name3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde
PubChem CID14915371
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde
SMILESCc1cc(C)c(-c2c(C)cc(C)c(C=O)c2C)c(C)c1C=O
InChIInChI=1S/C20H22O2/c1-11-7-13(3)19(15(5)17(11)9-21)20-14(4)8-12(2)18(10-22)16(20)6/h7-10H,1-6H3
InChIKeyNRTZHKWJJDMKOA-UHFFFAOYSA-N
XLogP4.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde
CID 14915375
3-formyl-2,4,6-trimethylbenzenesulfonyl chloride
CID 122216719
4-hydroxy-2,3,6-trimethylbenzaldehyde
CID 11309702
6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde
CID 45097937
3-(1-chloroethenyl)-2,4,6-trimethylbenzaldehyde
CID 101095685
4-(difluoromethoxy)-2,6-dimethylbenzaldehyde
CID 131524664
3-(3-formyl-2,4,6-trimethylphenyl)propanoic acid
CID 132775164
4-formyl-3,5-dimethylphthalic acid
CID 121217143
3-(3-formyl-2,4,6-trimethylphenyl)propanoate
CID 132775163
3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde
CID 84692353
3,5-dimethylphthalaldehyde
CID 23156924
2,4-dibromo-6-methylbenzaldehyde
CID 102195216

Frequently Asked Questions

What is the IUPAC name of 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde?
The IUPAC name of 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde (CID 14915371) is 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde.
What is the SMILES notation for 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde?
The canonical SMILES for 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde is Cc1cc(C)c(-c2c(C)cc(C)c(C=O)c2C)c(C)c1C=O.
What is the InChIKey of 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde?
The InChIKey is NRTZHKWJJDMKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-11-7-13(3)19(15(5)17(11)9-21)20-14(4)8-12(2)18(10-22)16(20)6/h7-10H,1-6H3.
What are the key properties of 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde?
3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde has a molecular weight of 294.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde is sourced from PubChem (CID 14915371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).