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

C21H18O4 — CID 71406162

IUPAC2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
SMILESO=Cc1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C21H18O4/c22-13-19-20(23)11-18(24-14-16-7-3-1-4-8-16)12-21(19)25-15-17-9-5-2-6-10-17/h1-13,23H,14-15H2
InChIKeyVOVATTFSGDLECM-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.36
Rot. Bonds7

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

2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde (PubChem CID 71406162) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
PubChem CID71406162
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
SMILESO=Cc1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C21H18O4/c22-13-19-20(23)11-18(24-14-16-7-3-1-4-8-16)12-21(19)25-15-17-9-5-2-6-10-17/h1-13,23H,14-15H2
InChIKeyVOVATTFSGDLECM-UHFFFAOYSA-N
XLogP4.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.36
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-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
1-[2-hydroxy-4,6-bis(phenylmethoxy)phenyl]-3-(4-phenylmethoxyphenyl)propan-2-one
CID 68982420
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691
[2,4-bis(phenylmethoxy)phenyl]methyl formate
CID 87851163
(3-benzoyloxy-4-formyl-5-hydroxyphenyl) benzoate
CID 131871766

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde?
The IUPAC name of 2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde (CID 71406162) is 2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde.
What is the SMILES notation for 2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde?
The canonical SMILES for 2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde is O=Cc1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde?
The InChIKey is VOVATTFSGDLECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c22-13-19-20(23)11-18(24-14-16-7-3-1-4-8-16)12-21(19)25-15-17-9-5-2-6-10-17/h1-13,23H,14-15H2.
What are the key properties of 2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde?
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde has a molecular weight of 334.37 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde is sourced from PubChem (CID 71406162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).