3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde

C20H22O7 — CID 146193205

IUPAC3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
SMILESCOCOc1cc(OCOC)c(C(C)=O)c(OCc2ccccc2)c1C=O
InChIInChI=1S/C20H22O7/c1-14(22)19-18(27-13-24-3)9-17(26-12-23-2)16(10-21)20(19)25-11-15-7-5-4-6-8-15/h4-10H,11-13H2,1-3H3
InChIKeyZQGFWEOFRNMCJW-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.25
Rot. Bonds11

About 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde

3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde (PubChem CID 146193205) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
PubChem CID146193205
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
SMILESCOCOc1cc(OCOC)c(C(C)=O)c(OCc2ccccc2)c1C=O
InChIInChI=1S/C20H22O7/c1-14(22)19-18(27-13-24-3)9-17(26-12-23-2)16(10-21)20(19)25-11-15-7-5-4-6-8-15/h4-10H,11-13H2,1-3H3
InChIKeyZQGFWEOFRNMCJW-UHFFFAOYSA-N
XLogP3.25
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
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

3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide
CID 71660685
N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide
CID 18504788
1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
CID 156853152
2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde
CID 135029831
benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate
CID 88935941
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
bis[3-acetyl-2,4-bis(phenylmethoxy)phenyl]iodanium
CID 23031244
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde?
The IUPAC name of 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde (CID 146193205) is 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde is COCOc1cc(OCOC)c(C(C)=O)c(OCc2ccccc2)c1C=O.
What is the InChIKey of 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde?
The InChIKey is ZQGFWEOFRNMCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7/c1-14(22)19-18(27-13-24-3)9-17(26-12-23-2)16(10-21)20(19)25-11-15-7-5-4-6-8-15/h4-10H,11-13H2,1-3H3.
What are the key properties of 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde?
3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde has a molecular weight of 374.39 g/mol, XLogP of 3.25, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 146193205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).