2-[4-(4-methylpentoxy)phenyl]oxirane

C14H20O2 — CID 146524855

IUPAC2-[4-(4-methylpentoxy)phenyl]oxirane
SMILESCC(C)CCCOc1ccc(C2CO2)cc1
InChIInChI=1S/C14H20O2/c1-11(2)4-3-9-15-13-7-5-12(6-8-13)14-10-16-14/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyMDVIYTOIMNEPLE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.57
Rot. Bonds6

About 2-[4-(4-methylpentoxy)phenyl]oxirane

2-[4-(4-methylpentoxy)phenyl]oxirane (PubChem CID 146524855) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[4-(4-methylpentoxy)phenyl]oxirane.

Molecular Properties

Compound Name2-[4-(4-methylpentoxy)phenyl]oxirane
PubChem CID146524855
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[4-(4-methylpentoxy)phenyl]oxirane
SMILESCC(C)CCCOc1ccc(C2CO2)cc1
InChIInChI=1S/C14H20O2/c1-11(2)4-3-9-15-13-7-5-12(6-8-13)14-10-16-14/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyMDVIYTOIMNEPLE-UHFFFAOYSA-N
XLogP3.57
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-propan-2-yloxyphenyl)oxirane
CID 30071232
2-butyl-5-(4-propoxyphenyl)-1,4-dioxane
CID 56985912
2-butyl-5-(4-hexoxyphenyl)-1,4-dioxane
CID 57028242
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
(2S,5S)-2-(4-heptoxyphenyl)-5-[(2E,4E)-hexa-2,4-dienoxy]-1,4-dioxane
CID 139860383
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912
5-butyl-2-(4-propoxyphenyl)oxane
CID 21247833
4-(4-methylpentoxy)benzoic acid
CID 22645282
1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
CID 118960625
5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine
CID 82472844
3-[4-(4-methylpentoxy)phenyl]prop-2-yn-1-amine
CID 83162144

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpentoxy)phenyl]oxirane?
The IUPAC name of 2-[4-(4-methylpentoxy)phenyl]oxirane (CID 146524855) is 2-[4-(4-methylpentoxy)phenyl]oxirane.
What is the SMILES notation for 2-[4-(4-methylpentoxy)phenyl]oxirane?
The canonical SMILES for 2-[4-(4-methylpentoxy)phenyl]oxirane is CC(C)CCCOc1ccc(C2CO2)cc1.
What is the InChIKey of 2-[4-(4-methylpentoxy)phenyl]oxirane?
The InChIKey is MDVIYTOIMNEPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)4-3-9-15-13-7-5-12(6-8-13)14-10-16-14/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[4-(4-methylpentoxy)phenyl]oxirane?
2-[4-(4-methylpentoxy)phenyl]oxirane has a molecular weight of 220.31 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpentoxy)phenyl]oxirane is sourced from PubChem (CID 146524855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).