4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol

C12H15NO — CID 130690217

IUPAC4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol
SMILESC=CCc1cc([C@@H]2CCN2)ccc1O
InChIInChI=1S/C12H15NO/c1-2-3-10-8-9(4-5-12(10)14)11-6-7-13-11/h2,4-5,8,11,13-14H,1,3,6-7H2/t11-/m0/s1
InChIKeyCDNLMEQRUZNJQD-NSHDSACASA-N
MW189.26 g/mol
LogP2.16
Rot. Bonds3

About 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol

4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol (PubChem CID 130690217) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol
PubChem CID130690217
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol
SMILESC=CCc1cc([C@@H]2CCN2)ccc1O
InChIInChI=1S/C12H15NO/c1-2-3-10-8-9(4-5-12(10)14)11-6-7-13-11/h2,4-5,8,11,13-14H,1,3,6-7H2/t11-/m0/s1
InChIKeyCDNLMEQRUZNJQD-NSHDSACASA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol?
The IUPAC name of 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol (CID 130690217) is 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol is C=CCc1cc([C@@H]2CCN2)ccc1O.
What is the InChIKey of 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol?
The InChIKey is CDNLMEQRUZNJQD-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO/c1-2-3-10-8-9(4-5-12(10)14)11-6-7-13-11/h2,4-5,8,11,13-14H,1,3,6-7H2/t11-/m0/s1.
What are the key properties of 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol?
4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol has a molecular weight of 189.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol is sourced from PubChem (CID 130690217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).