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

C19H22O7 — CID 135029975

IUPAC2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde
SMILESCOCOc1cccc(OCOC)c1-c1c(OC)ccc(OC)c1C=O
InChIInChI=1S/C19H22O7/c1-21-11-25-16-6-5-7-17(26-12-22-2)19(16)18-13(10-20)14(23-3)8-9-15(18)24-4/h5-10H,11-12H2,1-4H3
InChIKeyWJZNHCNAUGKYLB-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.15
Rot. Bonds10

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

2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde (PubChem CID 135029975) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde
PubChem CID135029975
Molecular FormulaC19H22O7
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde
SMILESCOCOc1cccc(OCOC)c1-c1c(OC)ccc(OC)c1C=O
InChIInChI=1S/C19H22O7/c1-21-11-25-16-6-5-7-17(26-12-22-2)19(16)18-13(10-20)14(23-3)8-9-15(18)24-4/h5-10H,11-12H2,1-4H3
InChIKeyWJZNHCNAUGKYLB-UHFFFAOYSA-N
XLogP3.15
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.15
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

3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
CID 135012085
2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde
CID 135029831
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
CID 86226921
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11339020
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2-formyl-3-methoxybenzonitrile
CID 122401577
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
3,6-dimethoxy-2-(methoxymethyl)benzaldehyde
CID 10512624
2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
CID 159655150

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde?
The IUPAC name of 2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde (CID 135029975) is 2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde.
What is the SMILES notation for 2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde?
The canonical SMILES for 2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde is COCOc1cccc(OCOC)c1-c1c(OC)ccc(OC)c1C=O.
What is the InChIKey of 2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde?
The InChIKey is WJZNHCNAUGKYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O7/c1-21-11-25-16-6-5-7-17(26-12-22-2)19(16)18-13(10-20)14(23-3)8-9-15(18)24-4/h5-10H,11-12H2,1-4H3.
What are the key properties of 2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde?
2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde has a molecular weight of 362.38 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde is sourced from PubChem (CID 135029975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).