2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde

C24H24O7 — CID 135029831

IUPAC2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde
SMILESCOCOc1cccc(OCOC)c1-c1c(O)ccc(OCc2ccccc2)c1C=O
InChIInChI=1S/C24H24O7/c1-27-15-30-21-9-6-10-22(31-16-28-2)24(21)23-18(13-25)20(12-11-19(23)26)29-14-17-7-4-3-5-8-17/h3-13,26H,14-16H2,1-2H3
InChIKeyRGEIRQUHKBHITC-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.42
Rot. Bonds11

About 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde

2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde (PubChem CID 135029831) has the molecular formula C24H24O7 and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde
PubChem CID135029831
Molecular FormulaC24H24O7
Molecular Weight424.45 g/mol
Exact Mass424.15
IUPAC Name2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde
SMILESCOCOc1cccc(OCOC)c1-c1c(O)ccc(OCc2ccccc2)c1C=O
InChIInChI=1S/C24H24O7/c1-27-15-30-21-9-6-10-22(31-16-28-2)24(21)23-18(13-25)20(12-11-19(23)26)29-14-17-7-4-3-5-8-17/h3-13,26H,14-16H2,1-2H3
InChIKeyRGEIRQUHKBHITC-UHFFFAOYSA-N
XLogP4.42
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
CID 135012085
2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde
CID 135029975
3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
CID 146193205
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
2-(2-formyl-3-phenylmethoxyphenoxy)acetamide
CID 176997821
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol
CID 142703348
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde?
The IUPAC name of 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde (CID 135029831) is 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde is COCOc1cccc(OCOC)c1-c1c(O)ccc(OCc2ccccc2)c1C=O.
What is the InChIKey of 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde?
The InChIKey is RGEIRQUHKBHITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O7/c1-27-15-30-21-9-6-10-22(31-16-28-2)24(21)23-18(13-25)20(12-11-19(23)26)29-14-17-7-4-3-5-8-17/h3-13,26H,14-16H2,1-2H3.
What are the key properties of 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde?
2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde has a molecular weight of 424.45 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde is sourced from PubChem (CID 135029831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).