2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde

C22H20O4 — CID 141442254

IUPAC2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
SMILESCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(C=O)c1O
InChIInChI=1S/C22H20O4/c1-16-20(25-14-17-8-4-2-5-9-17)12-21(19(13-23)22(16)24)26-15-18-10-6-3-7-11-18/h2-13,24H,14-15H2,1H3
InChIKeyFBNWYCLSPCIRKE-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.67
Rot. Bonds7

About 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde

2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde (PubChem CID 141442254) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
PubChem CID141442254
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
SMILESCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(C=O)c1O
InChIInChI=1S/C22H20O4/c1-16-20(25-14-17-8-4-2-5-9-17)12-21(19(13-23)22(16)24)26-15-18-10-6-3-7-11-18/h2-13,24H,14-15H2,1H3
InChIKeyFBNWYCLSPCIRKE-UHFFFAOYSA-N
XLogP4.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
CID 86653777
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
4-hydroxy-5-methyl-6-phenylmethoxy-3H-2-benzofuran-1-one
CID 163961951

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde (CID 141442254) is 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde is Cc1c(OCc2ccccc2)cc(OCc2ccccc2)c(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde?
The InChIKey is FBNWYCLSPCIRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-16-20(25-14-17-8-4-2-5-9-17)12-21(19(13-23)22(16)24)26-15-18-10-6-3-7-11-18/h2-13,24H,14-15H2,1H3.
What are the key properties of 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde?
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde has a molecular weight of 348.40 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde is sourced from PubChem (CID 141442254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).