2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane

C22H24O3 — CID 90250128

IUPAC2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane
SMILESC=CCc1cc(-c2ccc(OCC3CO3)cc2)ccc1OCC1CC1
InChIInChI=1S/C22H24O3/c1-2-3-19-12-18(8-11-22(19)25-13-16-4-5-16)17-6-9-20(10-7-17)23-14-21-15-24-21/h2,6-12,16,21H,1,3-5,13-15H2
InChIKeyQJGGRFXWOSUJCT-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.65
Rot. Bonds9

About 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane

2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane (PubChem CID 90250128) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane
PubChem CID90250128
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane
SMILESC=CCc1cc(-c2ccc(OCC3CO3)cc2)ccc1OCC1CC1
InChIInChI=1S/C22H24O3/c1-2-3-19-12-18(8-11-22(19)25-13-16-4-5-16)17-6-9-20(10-7-17)23-14-21-15-24-21/h2,6-12,16,21H,1,3-5,13-15H2
InChIKeyQJGGRFXWOSUJCT-UHFFFAOYSA-N
XLogP4.65
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209641
dipotassium;2-(chloromethyl)oxirane;hydride;4-(4-hydroxy-3-prop-2-enylphenyl)-2-prop-2-enylphenol;oxido formate;2-[[4-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 162006186
2-[[6-(oxiran-2-ylmethoxy)-1,3,5-tris(prop-2-enyl)naphthalen-2-yl]oxymethyl]oxirane
CID 90233959
2-[4-[2-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxetane
CID 130314268
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]ethyl]phenyl]propan-2-yl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209636
2-[(4-but-3-enoxyphenoxy)methyl]oxirane
CID 57158633
2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane;2-[[7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
CID 157235608
2-[[7-[7-(cyclopropylmethoxy)-8-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]naphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
CID 58298855
2-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexa-1,4-dien-1-yl]-2-propylphenoxy]methyl]oxirane
CID 87427230
4-[(5-methyloxolan-2-yl)methoxy]-3-prop-2-enylaniline
CID 103132623
bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 158570112

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane (CID 90250128) is 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane is C=CCc1cc(-c2ccc(OCC3CO3)cc2)ccc1OCC1CC1.
What is the InChIKey of 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane?
The InChIKey is QJGGRFXWOSUJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-2-3-19-12-18(8-11-22(19)25-13-16-4-5-16)17-6-9-20(10-7-17)23-14-21-15-24-21/h2,6-12,16,21H,1,3-5,13-15H2.
What are the key properties of 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane?
2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane has a molecular weight of 336.43 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 90250128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).