2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane

C17H26O2 — CID 83937057

IUPAC2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane
SMILESCc1cc(OCC(C)C)ccc1CC(C)C1OC1C
InChIInChI=1S/C17H26O2/c1-11(2)10-18-16-7-6-15(12(3)9-16)8-13(4)17-14(5)19-17/h6-7,9,11,13-14,17H,8,10H2,1-5H3
InChIKeyFQFHWKHTBZPTEA-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane

2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane (PubChem CID 83937057) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane
PubChem CID83937057
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane
SMILESCc1cc(OCC(C)C)ccc1CC(C)C1OC1C
InChIInChI=1S/C17H26O2/c1-11(2)10-18-16-7-6-15(12(3)9-16)8-13(4)17-14(5)19-17/h6-7,9,11,13-14,17H,8,10H2,1-5H3
InChIKeyFQFHWKHTBZPTEA-UHFFFAOYSA-N
XLogP4.00
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.00
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

2-[1-(2,5-diethoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83942873
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one
CID 83937000
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
[2-methyl-4-(2-methylpropoxy)phenyl]boronic acid
CID 83140010
2-methyl-4-(2-methylpropoxy)benzonitrile
CID 80502714
2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83933319
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
1-(chloromethyl)-4-(2,2-difluoroethoxy)-2-methylbenzene
CID 87426607
2-methyl-3-[[3-methyl-4-(2-methylpropyl)phenoxy]methyl]-5-(4-methylphenyl)furan
CID 70996771
5-[2-methyl-4-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82264546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane?
The IUPAC name of 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane (CID 83937057) is 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane.
What is the SMILES notation for 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane?
The canonical SMILES for 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane is Cc1cc(OCC(C)C)ccc1CC(C)C1OC1C.
What is the InChIKey of 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane?
The InChIKey is FQFHWKHTBZPTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11(2)10-18-16-7-6-15(12(3)9-16)8-13(4)17-14(5)19-17/h6-7,9,11,13-14,17H,8,10H2,1-5H3.
What are the key properties of 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane?
2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane has a molecular weight of 262.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane is sourced from PubChem (CID 83937057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).