4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol

C17H26O6 — CID 66744767

IUPAC4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol
SMILESCOCOc1ccc(C2(O)CC(C)OC(C)C2)c(OCOC)c1
InChIInChI=1S/C17H26O6/c1-12-8-17(18,9-13(2)23-12)15-6-5-14(21-10-19-3)7-16(15)22-11-20-4/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyHVRNJMRHOFJYLZ-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.43
Rot. Bonds7

About 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol

4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol (PubChem CID 66744767) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol
PubChem CID66744767
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol
SMILESCOCOc1ccc(C2(O)CC(C)OC(C)C2)c(OCOC)c1
InChIInChI=1S/C17H26O6/c1-12-8-17(18,9-13(2)23-12)15-6-5-14(21-10-19-3)7-16(15)22-11-20-4/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyHVRNJMRHOFJYLZ-UHFFFAOYSA-N
XLogP2.43
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol?
The IUPAC name of 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol (CID 66744767) is 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol.
What is the SMILES notation for 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol?
The canonical SMILES for 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol is COCOc1ccc(C2(O)CC(C)OC(C)C2)c(OCOC)c1.
What is the InChIKey of 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol?
The InChIKey is HVRNJMRHOFJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O6/c1-12-8-17(18,9-13(2)23-12)15-6-5-14(21-10-19-3)7-16(15)22-11-20-4/h5-7,12-13,18H,8-11H2,1-4H3.
What are the key properties of 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol?
4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol has a molecular weight of 326.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol is sourced from PubChem (CID 66744767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).