2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde

C18H20O2 — CID 71408995

IUPAC2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
SMILESCc1c(C)c(OCc2ccccc2)c(C)c(C)c1C=O
InChIInChI=1S/C18H20O2/c1-12-14(3)18(15(4)13(2)17(12)10-19)20-11-16-8-6-5-7-9-16/h5-10H,11H2,1-4H3
InChIKeyPCCBOHWBUOYTHZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.31
Rot. Bonds4

About 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde

2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde (PubChem CID 71408995) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
PubChem CID71408995
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
SMILESCc1c(C)c(OCc2ccccc2)c(C)c(C)c1C=O
InChIInChI=1S/C18H20O2/c1-12-14(3)18(15(4)13(2)17(12)10-19)20-11-16-8-6-5-7-9-16/h5-10H,11H2,1-4H3
InChIKeyPCCBOHWBUOYTHZ-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.31
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

2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
CID 86653777
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
1,1,1',1',6,6'-hexamethyl-5,5'-bis(phenylmethoxy)-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde
CID 166859250
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
4-bromo-5-[(2-ethenyl-6-methoxyphenyl)-methoxymethyl]-3-methoxy-2-methyl-6-phenylmethoxybenzaldehyde
CID 11283643
2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
CID 170399941
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde (CID 71408995) is 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde is Cc1c(C)c(OCc2ccccc2)c(C)c(C)c1C=O.
What is the InChIKey of 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde?
The InChIKey is PCCBOHWBUOYTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-14(3)18(15(4)13(2)17(12)10-19)20-11-16-8-6-5-7-9-16/h5-10H,11H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde?
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde has a molecular weight of 268.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 71408995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).