[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone

C19H22O7 — CID 19812692

IUPAC[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone
SMILESCOCOc1ccccc1C(=O)c1ccc(OC)c(OC)c1OCOC
InChIInChI=1S/C19H22O7/c1-21-11-25-15-8-6-5-7-13(15)17(20)14-9-10-16(23-3)19(24-4)18(14)26-12-22-2/h5-10H,11-12H2,1-4H3
InChIKeyMCNWZKUNWJGDBR-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.90
Rot. Bonds10

About [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone

[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone (PubChem CID 19812692) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone.

Molecular Properties

Compound Name[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone
PubChem CID19812692
Molecular FormulaC19H22O7
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone
SMILESCOCOc1ccccc1C(=O)c1ccc(OC)c(OC)c1OCOC
InChIInChI=1S/C19H22O7/c1-21-11-25-15-8-6-5-7-13(15)17(20)14-9-10-16(23-3)19(24-4)18(14)26-12-22-2/h5-10H,11-12H2,1-4H3
InChIKeyMCNWZKUNWJGDBR-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103433024
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 102839751
[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone
CID 68911244
2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone
CID 171367812
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
CID 43588954
5-[3-methoxy-4-(2-methoxybenzoyl)-2-propylphenoxy]pentanoic acid
CID 54012758

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone?
The IUPAC name of [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone (CID 19812692) is [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone.
What is the SMILES notation for [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone?
The canonical SMILES for [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone is COCOc1ccccc1C(=O)c1ccc(OC)c(OC)c1OCOC.
What is the InChIKey of [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone?
The InChIKey is MCNWZKUNWJGDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O7/c1-21-11-25-15-8-6-5-7-13(15)17(20)14-9-10-16(23-3)19(24-4)18(14)26-12-22-2/h5-10H,11-12H2,1-4H3.
What are the key properties of [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone?
[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone has a molecular weight of 362.38 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone is sourced from PubChem (CID 19812692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).