2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane

C17H18O2 — CID 3549326

IUPAC2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
SMILESCc1ccc(C(OCC2CO2)c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17(19-12-16-11-18-16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyJEFBFSPUPJAMED-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.50
Rot. Bonds5

About 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane

2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane (PubChem CID 3549326) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
PubChem CID3549326
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
SMILESCc1ccc(C(OCC2CO2)c2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17(19-12-16-11-18-16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyJEFBFSPUPJAMED-UHFFFAOYSA-N
XLogP3.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 2507782
(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane
CID 125496560
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol
CID 57092971
2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane
CID 14810466
(2R)-2-[[(1S)-1-phenylbutoxy]methyl]oxirane
CID 124508039
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
1,1-dimethyl-2-[[(4-methylphenyl)-phenylmethoxy]methyl]piperidin-1-ium bromide
CID 3047852
2-(1-phenylprop-2-enoxymethyl)oxirane
CID 22186254
trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
CID 786818
(Z)-but-2-enedioic acid;1-methyl-2-[[(4-methylphenyl)-phenylmethoxy]methyl]piperidine
CID 70591601
4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene
CID 123624962

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane?
The IUPAC name of 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane (CID 3549326) is 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane?
The canonical SMILES for 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane is Cc1ccc(C(OCC2CO2)c2ccccc2)cc1.
What is the InChIKey of 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane?
The InChIKey is JEFBFSPUPJAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-7-9-15(10-8-13)17(19-12-16-11-18-16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3.
What are the key properties of 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane?
2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane has a molecular weight of 254.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane is sourced from PubChem (CID 3549326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).