2-[2-(3-methyloxiran-2-yl)ethyl]phenol

C11H14O2 — CID 83930552

IUPAC2-[2-(3-methyloxiran-2-yl)ethyl]phenol
SMILESCC1OC1CCc1ccccc1O
InChIInChI=1S/C11H14O2/c1-8-11(13-8)7-6-9-4-2-3-5-10(9)12/h2-5,8,11-12H,6-7H2,1H3
InChIKeyZXDQITPAPPVKIP-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.11
Rot. Bonds3

About 2-[2-(3-methyloxiran-2-yl)ethyl]phenol

2-[2-(3-methyloxiran-2-yl)ethyl]phenol (PubChem CID 83930552) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[2-(3-methyloxiran-2-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(3-methyloxiran-2-yl)ethyl]phenol
PubChem CID83930552
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[2-(3-methyloxiran-2-yl)ethyl]phenol
SMILESCC1OC1CCc1ccccc1O
InChIInChI=1S/C11H14O2/c1-8-11(13-8)7-6-9-4-2-3-5-10(9)12/h2-5,8,11-12H,6-7H2,1H3
InChIKeyZXDQITPAPPVKIP-UHFFFAOYSA-N
XLogP2.11
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyloxiran-2-yl)ethyl]phenol?
The IUPAC name of 2-[2-(3-methyloxiran-2-yl)ethyl]phenol (CID 83930552) is 2-[2-(3-methyloxiran-2-yl)ethyl]phenol.
What is the SMILES notation for 2-[2-(3-methyloxiran-2-yl)ethyl]phenol?
The canonical SMILES for 2-[2-(3-methyloxiran-2-yl)ethyl]phenol is CC1OC1CCc1ccccc1O.
What is the InChIKey of 2-[2-(3-methyloxiran-2-yl)ethyl]phenol?
The InChIKey is ZXDQITPAPPVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-11(13-8)7-6-9-4-2-3-5-10(9)12/h2-5,8,11-12H,6-7H2,1H3.
What are the key properties of 2-[2-(3-methyloxiran-2-yl)ethyl]phenol?
2-[2-(3-methyloxiran-2-yl)ethyl]phenol has a molecular weight of 178.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyloxiran-2-yl)ethyl]phenol is sourced from PubChem (CID 83930552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).