3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one

C26H26O5 — CID 562066

IUPAC3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C26H26O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2
InChIKeyLDHBSABBBAUMCZ-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.30
Rot. Bonds10

About 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one

3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 562066) has the molecular formula C26H26O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID562066
Molecular FormulaC26H26O5
Molecular Weight418.49 g/mol
Exact Mass418.18
IUPAC Name3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
SMILESO=C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C26H26O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2
InChIKeyLDHBSABBBAUMCZ-UHFFFAOYSA-N
XLogP4.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one 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 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one (CID 562066) is 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one is O=C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is LDHBSABBBAUMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2.
What are the key properties of 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 418.49 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 562066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).