2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol

C14H16O2 — CID 174620575

IUPAC2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol
SMILESC1=CCC(CC2CO2)=C1.Oc1ccccc1
InChIInChI=1S/C8H10O.C6H6O/c1-2-4-7(3-1)5-8-6-9-8;7-6-4-2-1-3-5-6/h1-3,8H,4-6H2;1-5,7H
InChIKeyXEJYWKVMCVCDOD-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds2

About 2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol

2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol (PubChem CID 174620575) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol.

Molecular Properties

Compound Name2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol
PubChem CID174620575
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol
SMILESC1=CCC(CC2CO2)=C1.Oc1ccccc1
InChIInChI=1S/C8H10O.C6H6O/c1-2-4-7(3-1)5-8-6-9-8;7-6-4-2-1-3-5-6/h1-3,8H,4-6H2;1-5,7H
InChIKeyXEJYWKVMCVCDOD-UHFFFAOYSA-N
XLogP3.05
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.05
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-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol?
The IUPAC name of 2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol (CID 174620575) is 2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol.
What is the SMILES notation for 2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol?
The canonical SMILES for 2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol is C1=CCC(CC2CO2)=C1.Oc1ccccc1.
What is the InChIKey of 2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol?
The InChIKey is XEJYWKVMCVCDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H6O/c1-2-4-7(3-1)5-8-6-9-8;7-6-4-2-1-3-5-6/h1-3,8H,4-6H2;1-5,7H.
What are the key properties of 2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol?
2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol has a molecular weight of 216.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-1,3-dien-1-ylmethyl)oxirane;phenol is sourced from PubChem (CID 174620575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).