2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde

C24H24O3 — CID 86653777

IUPAC2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
SMILESCc1c(C)c(OCc2ccccc2)c(C=O)c(C)c1OCc1ccccc1
InChIInChI=1S/C24H24O3/c1-17-18(2)24(27-16-21-12-8-5-9-13-21)22(14-25)19(3)23(17)26-15-20-10-6-4-7-11-20/h4-14H,15-16H2,1-3H3
InChIKeyWANXQRLWUNLKLI-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.58
Rot. Bonds7

About 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde

2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde (PubChem CID 86653777) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
PubChem CID86653777
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
SMILESCc1c(C)c(OCc2ccccc2)c(C=O)c(C)c1OCc1ccccc1
InChIInChI=1S/C24H24O3/c1-17-18(2)24(27-16-21-12-8-5-9-13-21)22(14-25)19(3)23(17)26-15-20-10-6-4-7-11-20/h4-14H,15-16H2,1-3H3
InChIKeyWANXQRLWUNLKLI-UHFFFAOYSA-N
XLogP5.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
4,5-dimethoxy-2-methyl-3-[(6-methylcyclohexa-2,4-dien-1-yl)methoxy]-6-phenylmethoxybenzaldehyde
CID 129191203
4-bromo-5-[(2-ethenyl-6-methoxyphenyl)-methoxymethyl]-3-methoxy-2-methyl-6-phenylmethoxybenzaldehyde
CID 11283643
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene
CID 142628301
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
2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
CID 170399941

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde?
The IUPAC name of 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde (CID 86653777) is 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde.
What is the SMILES notation for 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde?
The canonical SMILES for 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde is Cc1c(C)c(OCc2ccccc2)c(C=O)c(C)c1OCc1ccccc1.
What is the InChIKey of 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde?
The InChIKey is WANXQRLWUNLKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-17-18(2)24(27-16-21-12-8-5-9-13-21)22(14-25)19(3)23(17)26-15-20-10-6-4-7-11-20/h4-14H,15-16H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde?
2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde has a molecular weight of 360.45 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde is sourced from PubChem (CID 86653777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).