4-[1-(oxiran-2-yl)propan-2-yl]phenol

C11H14O2 — CID 140856191

IUPAC4-[1-(oxiran-2-yl)propan-2-yl]phenol
SMILESCC(CC1CO1)c1ccc(O)cc1
InChIInChI=1S/C11H14O2/c1-8(6-11-7-13-11)9-2-4-10(12)5-3-9/h2-5,8,11-12H,6-7H2,1H3
InChIKeyVFLAGLCHYDRFQK-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.28
Rot. Bonds3

About 4-[1-(oxiran-2-yl)propan-2-yl]phenol

4-[1-(oxiran-2-yl)propan-2-yl]phenol (PubChem CID 140856191) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-[1-(oxiran-2-yl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(oxiran-2-yl)propan-2-yl]phenol
PubChem CID140856191
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-[1-(oxiran-2-yl)propan-2-yl]phenol
SMILESCC(CC1CO1)c1ccc(O)cc1
InChIInChI=1S/C11H14O2/c1-8(6-11-7-13-11)9-2-4-10(12)5-3-9/h2-5,8,11-12H,6-7H2,1H3
InChIKeyVFLAGLCHYDRFQK-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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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Related Compounds

4-tert-Pentylphenol
CID 6643
Bisphenol A
CID 6623
Dienestrol
CID 667476
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
2,4-Di-tert-butylphenol
CID 7311
4-Tert-octylphenol
CID 8814
4,4'-Dihydroxybiphenyl
CID 7112
3,4-Dimethylphenol
CID 7249
Bisphenol B
CID 66166

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxiran-2-yl)propan-2-yl]phenol?
The IUPAC name of 4-[1-(oxiran-2-yl)propan-2-yl]phenol (CID 140856191) is 4-[1-(oxiran-2-yl)propan-2-yl]phenol.
What is the SMILES notation for 4-[1-(oxiran-2-yl)propan-2-yl]phenol?
The canonical SMILES for 4-[1-(oxiran-2-yl)propan-2-yl]phenol is CC(CC1CO1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(oxiran-2-yl)propan-2-yl]phenol?
The InChIKey is VFLAGLCHYDRFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(6-11-7-13-11)9-2-4-10(12)5-3-9/h2-5,8,11-12H,6-7H2,1H3.
What are the key properties of 4-[1-(oxiran-2-yl)propan-2-yl]phenol?
4-[1-(oxiran-2-yl)propan-2-yl]phenol has a molecular weight of 178.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxiran-2-yl)propan-2-yl]phenol is sourced from PubChem (CID 140856191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).