2-[(3-benzhydrylphenoxy)methyl]oxirane

C22H20O2 — CID 123717672

IUPAC2-[(3-benzhydrylphenoxy)methyl]oxirane
SMILESc1ccc(C(c2ccccc2)c2cccc(OCC3CO3)c2)cc1
InChIInChI=1S/C22H20O2/c1-3-8-17(9-4-1)22(18-10-5-2-6-11-18)19-12-7-13-20(14-19)23-15-21-16-24-21/h1-14,21-22H,15-16H2
InChIKeyDURNPDHOIRPRAO-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.64
Rot. Bonds6

About 2-[(3-benzhydrylphenoxy)methyl]oxirane

2-[(3-benzhydrylphenoxy)methyl]oxirane (PubChem CID 123717672) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[(3-benzhydrylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(3-benzhydrylphenoxy)methyl]oxirane
PubChem CID123717672
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-[(3-benzhydrylphenoxy)methyl]oxirane
SMILESc1ccc(C(c2ccccc2)c2cccc(OCC3CO3)c2)cc1
InChIInChI=1S/C22H20O2/c1-3-8-17(9-4-1)22(18-10-5-2-6-11-18)19-12-7-13-20(14-19)23-15-21-16-24-21/h1-14,21-22H,15-16H2
InChIKeyDURNPDHOIRPRAO-UHFFFAOYSA-N
XLogP4.64
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[1,3,3-tris[3-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 59217386
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
cumene;ethane;bis(2-(methoxymethyl)oxirane);tris(2-(phenoxymethyl)oxirane)
CID 158628224
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
2-N-[3-(oxiran-2-ylmethoxy)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 156755251
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
1,3-ditert-butylbenzene;ethane;methane;bis(2-(phenoxymethyl)oxirane)
CID 160560023

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzhydrylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(3-benzhydrylphenoxy)methyl]oxirane (CID 123717672) is 2-[(3-benzhydrylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(3-benzhydrylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(3-benzhydrylphenoxy)methyl]oxirane is c1ccc(C(c2ccccc2)c2cccc(OCC3CO3)c2)cc1.
What is the InChIKey of 2-[(3-benzhydrylphenoxy)methyl]oxirane?
The InChIKey is DURNPDHOIRPRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-3-8-17(9-4-1)22(18-10-5-2-6-11-18)19-12-7-13-20(14-19)23-15-21-16-24-21/h1-14,21-22H,15-16H2.
What are the key properties of 2-[(3-benzhydrylphenoxy)methyl]oxirane?
2-[(3-benzhydrylphenoxy)methyl]oxirane has a molecular weight of 316.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzhydrylphenoxy)methyl]oxirane is sourced from PubChem (CID 123717672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).