2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane

C14H20O — CID 118632856

IUPAC2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane
SMILESCCC(C)(C)c1ccc(CC2CO2)cc1
InChIInChI=1S/C14H20O/c1-4-14(2,3)12-7-5-11(6-8-12)9-13-10-15-13/h5-8,13H,4,9-10H2,1-3H3
InChIKeySOQPRAQZWNYMTP-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.32
Rot. Bonds4

About 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane

2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane (PubChem CID 118632856) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane
PubChem CID118632856
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane
SMILESCCC(C)(C)c1ccc(CC2CO2)cc1
InChIInChI=1S/C14H20O/c1-4-14(2,3)12-7-5-11(6-8-12)9-13-10-15-13/h5-8,13H,4,9-10H2,1-3H3
InChIKeySOQPRAQZWNYMTP-UHFFFAOYSA-N
XLogP3.32
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane
CID 129383518
2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane
CID 57324598
2-[(3-tert-butylphenyl)methyl]oxirane
CID 54005410
N,4-bis(oxiran-2-ylmethyl)aniline
CID 54149800
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
2-[2-[2-hydroxy-4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-5-(oxiran-2-ylmethyl)phenol
CID 54210540
2-[(4-pentoxyphenyl)methyl]oxirane
CID 173250908
methyl-bis[4-(oxiran-2-ylmethyl)phenyl]-phenylsilane
CID 59467325
[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
CID 66259187
2-[[4-[2-[4-(cyclopropylmethyl)-3-[[3-(2-ethyl-2-methylbutyl)-2-(oxiran-2-ylmethyl)-5-[2-[4-(oxiran-2-ylmethyl)phenyl]butan-2-yl]phenyl]methyl]-5-[[3-(2-methylpentan-2-yl)-2-(oxiran-2-ylmethyl)-5-[2-[4-(oxiran-2-ylmethyl)phenyl]butan-2-yl]phenyl]methyl]phenyl]butan-2-yl]phenyl]methyl]oxirane
CID 91479055
2-[[3-methyl-4-[4-(oxiran-2-ylmethyl)phenyl]phenyl]methyl]oxirane
CID 141222290
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane?
The IUPAC name of 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane (CID 118632856) is 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane?
The canonical SMILES for 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane is CCC(C)(C)c1ccc(CC2CO2)cc1.
What is the InChIKey of 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane?
The InChIKey is SOQPRAQZWNYMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-14(2,3)12-7-5-11(6-8-12)9-13-10-15-13/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane?
2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane has a molecular weight of 204.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane is sourced from PubChem (CID 118632856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).