(2R)-2-(4-propan-2-yloxyphenyl)oxirane

C11H14O2 — CID 30071232

IUPAC(2R)-2-(4-propan-2-yloxyphenyl)oxirane
SMILESCC(C)Oc1ccc([C@@H]2CO2)cc1
InChIInChI=1S/C11H14O2/c1-8(2)13-10-5-3-9(4-6-10)11-7-12-11/h3-6,8,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyCSDLCRWFAMYPEB-NSHDSACASA-N
MW178.23 g/mol
LogP2.55
Rot. Bonds3

About (2R)-2-(4-propan-2-yloxyphenyl)oxirane

(2R)-2-(4-propan-2-yloxyphenyl)oxirane (PubChem CID 30071232) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-2-(4-propan-2-yloxyphenyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(4-propan-2-yloxyphenyl)oxirane
PubChem CID30071232
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R)-2-(4-propan-2-yloxyphenyl)oxirane
SMILESCC(C)Oc1ccc([C@@H]2CO2)cc1
InChIInChI=1S/C11H14O2/c1-8(2)13-10-5-3-9(4-6-10)11-7-12-11/h3-6,8,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyCSDLCRWFAMYPEB-NSHDSACASA-N
XLogP2.55
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.55
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

4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane
CID 70936320
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912
2-[4-(4-methylpentoxy)phenyl]oxirane
CID 146524855
2-[2-(4-propan-2-yloxyphenyl)ethyl]oxirane
CID 83932845
[4-(oxiran-2-yl)phenyl] acetate
CID 10921072
(4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950213
(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532
N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 116962676
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
CID 94605675
2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one
CID 81415345
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-propan-2-yloxyphenyl)oxirane?
The IUPAC name of (2R)-2-(4-propan-2-yloxyphenyl)oxirane (CID 30071232) is (2R)-2-(4-propan-2-yloxyphenyl)oxirane.
What is the SMILES notation for (2R)-2-(4-propan-2-yloxyphenyl)oxirane?
The canonical SMILES for (2R)-2-(4-propan-2-yloxyphenyl)oxirane is CC(C)Oc1ccc([C@@H]2CO2)cc1.
What is the InChIKey of (2R)-2-(4-propan-2-yloxyphenyl)oxirane?
The InChIKey is CSDLCRWFAMYPEB-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O2/c1-8(2)13-10-5-3-9(4-6-10)11-7-12-11/h3-6,8,11H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-2-(4-propan-2-yloxyphenyl)oxirane?
(2R)-2-(4-propan-2-yloxyphenyl)oxirane has a molecular weight of 178.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-propan-2-yloxyphenyl)oxirane is sourced from PubChem (CID 30071232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).