2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol

C24H24O7 — CID 20735010

IUPAC2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol
SMILESCOCOc1ccc(C2Oc3ccccc3OC2(O)c2ccc(OCOC)cc2)cc1
InChIInChI=1S/C24H24O7/c1-26-15-28-19-11-7-17(8-12-19)23-24(25,31-22-6-4-3-5-21(22)30-23)18-9-13-20(14-10-18)29-16-27-2/h3-14,23,25H,15-16H2,1-2H3
InChIKeyMEHDVMJLDGEWOH-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.01
Rot. Bonds8

About 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol

2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol (PubChem CID 20735010) has the molecular formula C24H24O7 and a molecular weight of 424.45 g/mol. Its IUPAC name is 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol.

Molecular Properties

Compound Name2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol
PubChem CID20735010
Molecular FormulaC24H24O7
Molecular Weight424.45 g/mol
Exact Mass424.15
IUPAC Name2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol
SMILESCOCOc1ccc(C2Oc3ccccc3OC2(O)c2ccc(OCOC)cc2)cc1
InChIInChI=1S/C24H24O7/c1-26-15-28-19-11-7-17(8-12-19)23-24(25,31-22-6-4-3-5-21(22)30-23)18-9-13-20(14-10-18)29-16-27-2/h3-14,23,25H,15-16H2,1-2H3
InChIKeyMEHDVMJLDGEWOH-UHFFFAOYSA-N
XLogP4.01
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol?
The IUPAC name of 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol (CID 20735010) is 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol.
What is the SMILES notation for 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol?
The canonical SMILES for 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol is COCOc1ccc(C2Oc3ccccc3OC2(O)c2ccc(OCOC)cc2)cc1.
What is the InChIKey of 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol?
The InChIKey is MEHDVMJLDGEWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O7/c1-26-15-28-19-11-7-17(8-12-19)23-24(25,31-22-6-4-3-5-21(22)30-23)18-9-13-20(14-10-18)29-16-27-2/h3-14,23,25H,15-16H2,1-2H3.
What are the key properties of 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol?
2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol has a molecular weight of 424.45 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(methoxymethoxy)phenyl]-2H-1,4-benzodioxin-3-ol is sourced from PubChem (CID 20735010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).