2-methyl-4,6-bis(phenylmethoxy)benzaldehyde

C22H20O3 — CID 11359497

IUPAC2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
SMILESCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C=O
InChIInChI=1S/C22H20O3/c1-17-12-20(24-15-18-8-4-2-5-9-18)13-22(21(17)14-23)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKeySTFRIZJIVXZZSV-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.97
Rot. Bonds7

About 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde

2-methyl-4,6-bis(phenylmethoxy)benzaldehyde (PubChem CID 11359497) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
PubChem CID11359497
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
SMILESCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C=O
InChIInChI=1S/C22H20O3/c1-17-12-20(24-15-18-8-4-2-5-9-18)13-22(21(17)14-23)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKeySTFRIZJIVXZZSV-UHFFFAOYSA-N
XLogP4.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.97
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-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
CID 101137305
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde?
The IUPAC name of 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde (CID 11359497) is 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde.
What is the SMILES notation for 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde?
The canonical SMILES for 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde is Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C=O.
What is the InChIKey of 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde?
The InChIKey is STFRIZJIVXZZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-17-12-20(24-15-18-8-4-2-5-9-18)13-22(21(17)14-23)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3.
What are the key properties of 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde?
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde has a molecular weight of 332.40 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(phenylmethoxy)benzaldehyde is sourced from PubChem (CID 11359497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).