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

C22H20O4 — CID 10980954

IUPAC2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
SMILESCOc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C=O
InChIInChI=1S/C22H20O4/c1-24-21-12-19(25-15-17-8-4-2-5-9-17)13-22(20(21)14-23)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChIKeyCEUUPWYDYJWHHH-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.67
Rot. Bonds8

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

2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde (PubChem CID 10980954) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
PubChem CID10980954
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
SMILESCOc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C=O
InChIInChI=1S/C22H20O4/c1-24-21-12-19(25-15-17-8-4-2-5-9-17)13-22(20(21)14-23)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChIKeyCEUUPWYDYJWHHH-UHFFFAOYSA-N
XLogP4.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde?
The IUPAC name of 2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde (CID 10980954) is 2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde.
What is the SMILES notation for 2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde?
The canonical SMILES for 2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde is COc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C=O.
What is the InChIKey of 2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde?
The InChIKey is CEUUPWYDYJWHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-24-21-12-19(25-15-17-8-4-2-5-9-17)13-22(20(21)14-23)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3.
What are the key properties of 2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde?
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde has a molecular weight of 348.40 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde is sourced from PubChem (CID 10980954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).