2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane

C30H28O5 — CID 14831922

IUPAC2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
SMILESCOc1ccc(C2OC2c2ccc(OC)c(OCc3ccccc3)c2)cc1OCc1ccccc1
InChIInChI=1S/C30H28O5/c1-31-25-15-13-23(17-27(25)33-19-21-9-5-3-6-10-21)29-30(35-29)24-14-16-26(32-2)28(18-24)34-20-22-11-7-4-8-12-22/h3-18,29-30H,19-20H2,1-2H3
InChIKeyYNGCVOQRBHPQNQ-UHFFFAOYSA-N
MW468.55 g/mol
LogP6.67
Rot. Bonds10

About 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane

2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane (PubChem CID 14831922) has the molecular formula C30H28O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane.

Molecular Properties

Compound Name2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
PubChem CID14831922
Molecular FormulaC30H28O5
Molecular Weight468.55 g/mol
Exact Mass468.19
IUPAC Name2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
SMILESCOc1ccc(C2OC2c2ccc(OC)c(OCc3ccccc3)c2)cc1OCc1ccccc1
InChIInChI=1S/C30H28O5/c1-31-25-15-13-23(17-27(25)33-19-21-9-5-3-6-10-21)29-30(35-29)24-14-16-26(32-2)28(18-24)34-20-22-11-7-4-8-12-22/h3-18,29-30H,19-20H2,1-2H3
InChIKeyYNGCVOQRBHPQNQ-UHFFFAOYSA-N
XLogP6.67
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane 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

[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11442314
[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036135
(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193382
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one
CID 102187851
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146393584
5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine
CID 126507338
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188683
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
dimethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4607750

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane?
The IUPAC name of 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane (CID 14831922) is 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane.
What is the SMILES notation for 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane?
The canonical SMILES for 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane is COc1ccc(C2OC2c2ccc(OC)c(OCc3ccccc3)c2)cc1OCc1ccccc1.
What is the InChIKey of 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane?
The InChIKey is YNGCVOQRBHPQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O5/c1-31-25-15-13-23(17-27(25)33-19-21-9-5-3-6-10-21)29-30(35-29)24-14-16-26(32-2)28(18-24)34-20-22-11-7-4-8-12-22/h3-18,29-30H,19-20H2,1-2H3.
What are the key properties of 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane?
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane has a molecular weight of 468.55 g/mol, XLogP of 6.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane is sourced from PubChem (CID 14831922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).