3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol

C20H24O4 — CID 150125273

IUPAC3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
SMILESCC1CC(COCc2ccccc2)OC1(O)OCc1ccccc1
InChIInChI=1S/C20H24O4/c1-16-12-19(15-22-13-17-8-4-2-5-9-17)24-20(16,21)23-14-18-10-6-3-7-11-18/h2-11,16,19,21H,12-15H2,1H3
InChIKeyFACBUEBHVSXLSB-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.49
Rot. Bonds7

About 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol

3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol (PubChem CID 150125273) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
PubChem CID150125273
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
SMILESCC1CC(COCc2ccccc2)OC1(O)OCc1ccccc1
InChIInChI=1S/C20H24O4/c1-16-12-19(15-22-13-17-8-4-2-5-9-17)24-20(16,21)23-14-18-10-6-3-7-11-18/h2-11,16,19,21H,12-15H2,1H3
InChIKeyFACBUEBHVSXLSB-UHFFFAOYSA-N
XLogP3.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethanol
CID 25058663
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
3,3-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 160984171
5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 153362035
(E)-3-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]prop-2-en-1-ol
CID 134972307
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853
(3aR,4R,6S,7aR)-2,2-dimethyl-6-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol
CID 11471925
3-methyl-5-(phenylmethoxymethyl)oxolane-2-carboxamide
CID 91431609
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
CID 159970118

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol?
The IUPAC name of 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol (CID 150125273) is 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol.
What is the SMILES notation for 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol?
The canonical SMILES for 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol is CC1CC(COCc2ccccc2)OC1(O)OCc1ccccc1.
What is the InChIKey of 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol?
The InChIKey is FACBUEBHVSXLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-16-12-19(15-22-13-17-8-4-2-5-9-17)24-20(16,21)23-14-18-10-6-3-7-11-18/h2-11,16,19,21H,12-15H2,1H3.
What are the key properties of 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol?
3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol has a molecular weight of 328.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol is sourced from PubChem (CID 150125273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).