4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane

C19H20O4 — CID 140578921

IUPAC4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane
SMILESc1cc(OCC2CO2)ccc1Cc1ccc(C2COCO2)cc1
InChIInChI=1S/C19H20O4/c1-5-16(19-12-20-13-23-19)6-2-14(1)9-15-3-7-17(8-4-15)21-10-18-11-22-18/h1-8,18-19H,9-13H2
InChIKeyFTXXSAOJIOLNDM-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.10
Rot. Bonds6

About 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane

4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane (PubChem CID 140578921) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane
PubChem CID140578921
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane
SMILESc1cc(OCC2CO2)ccc1Cc1ccc(C2COCO2)cc1
InChIInChI=1S/C19H20O4/c1-5-16(19-12-20-13-23-19)6-2-14(1)9-15-3-7-17(8-4-15)21-10-18-11-22-18/h1-8,18-19H,9-13H2
InChIKeyFTXXSAOJIOLNDM-UHFFFAOYSA-N
XLogP3.10
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane 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-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 158459779
2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[2-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 161076249
2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane
CID 58165314
CID 59015330
CID 59015330
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
1-[4-[[4-(oxetan-3-yloxy)phenyl]methyl]phenoxy]-3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 59660341
4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline
CID 163586809
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]formamide
CID 54403591

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane?
The IUPAC name of 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane (CID 140578921) is 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane is c1cc(OCC2CO2)ccc1Cc1ccc(C2COCO2)cc1.
What is the InChIKey of 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane?
The InChIKey is FTXXSAOJIOLNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-5-16(19-12-20-13-23-19)6-2-14(1)9-15-3-7-17(8-4-15)21-10-18-11-22-18/h1-8,18-19H,9-13H2.
What are the key properties of 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane?
4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane has a molecular weight of 312.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 140578921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).