2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane

C23H28O3 — CID 87199464

IUPAC2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane
SMILESCc1cc(-c2cc(C)c(OCC3CO3)c(C)c2)cc(C)c1OCC1CC1
InChIInChI=1S/C23H28O3/c1-14-7-19(8-15(2)22(14)25-11-18-5-6-18)20-9-16(3)23(17(4)10-20)26-13-21-12-24-21/h7-10,18,21H,5-6,11-13H2,1-4H3
InChIKeyJBUYWSOLNZUUQB-UHFFFAOYSA-N
MW352.47 g/mol
LogP5.15
Rot. Bonds7

About 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane

2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane (PubChem CID 87199464) has the molecular formula C23H28O3 and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane
PubChem CID87199464
Molecular FormulaC23H28O3
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane
SMILESCc1cc(-c2cc(C)c(OCC3CO3)c(C)c2)cc(C)c1OCC1CC1
InChIInChI=1S/C23H28O3/c1-14-7-19(8-15(2)22(14)25-11-18-5-6-18)20-9-16(3)23(17(4)10-20)26-13-21-12-24-21/h7-10,18,21H,5-6,11-13H2,1-4H3
InChIKeyJBUYWSOLNZUUQB-UHFFFAOYSA-N
XLogP5.15
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane with MolForge

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Related Compounds

2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 142851433
2-[3-[4-[3,5-dimethyl-4-[3-(oxiran-2-ylmethoxy)propoxy]phenyl]-2,6-dimethylphenoxy]propoxymethyl]oxirane
CID 101109293
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
2-[[4-[4-(oxiran-2-ylmethoxy)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenoxy]methyl]oxirane
CID 87443194
1-methyl-4-propan-2-ylcyclohexane;molecular iodine;bis(2-[(2,4,6-trimethylphenoxy)methyl]oxirane)
CID 159671897
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
1,3-bis[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2,6-dimethylphenoxy]propan-2-ol
CID 58330220
2-[(4-chloro-3,5-dimethylphenoxy)methyl]oxirane
CID 43175697
2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal
CID 174737328
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane (CID 87199464) is 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane is Cc1cc(-c2cc(C)c(OCC3CO3)c(C)c2)cc(C)c1OCC1CC1.
What is the InChIKey of 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane?
The InChIKey is JBUYWSOLNZUUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3/c1-14-7-19(8-15(2)22(14)25-11-18-5-6-18)20-9-16(3)23(17(4)10-20)26-13-21-12-24-21/h7-10,18,21H,5-6,11-13H2,1-4H3.
What are the key properties of 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane?
2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane has a molecular weight of 352.47 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2,6-dimethylphenoxy]methyl]oxirane is sourced from PubChem (CID 87199464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).