3-(2-propylazetidin-2-yl)phenol

C12H17NO — CID 115058562

IUPAC3-(2-propylazetidin-2-yl)phenol
SMILESCCCC1(c2cccc(O)c2)CCN1
InChIInChI=1S/C12H17NO/c1-2-6-12(7-8-13-12)10-4-3-5-11(14)9-10/h3-5,9,13-14H,2,6-8H2,1H3
InChIKeyFUKLSBPBZMVZEP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.38
Rot. Bonds3

About 3-(2-propylazetidin-2-yl)phenol

3-(2-propylazetidin-2-yl)phenol (PubChem CID 115058562) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2-propylazetidin-2-yl)phenol.

Molecular Properties

Compound Name3-(2-propylazetidin-2-yl)phenol
PubChem CID115058562
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(2-propylazetidin-2-yl)phenol
SMILESCCCC1(c2cccc(O)c2)CCN1
InChIInChI=1S/C12H17NO/c1-2-6-12(7-8-13-12)10-4-3-5-11(14)9-10/h3-5,9,13-14H,2,6-8H2,1H3
InChIKeyFUKLSBPBZMVZEP-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propylazetidin-2-yl)phenol?
The IUPAC name of 3-(2-propylazetidin-2-yl)phenol (CID 115058562) is 3-(2-propylazetidin-2-yl)phenol.
What is the SMILES notation for 3-(2-propylazetidin-2-yl)phenol?
The canonical SMILES for 3-(2-propylazetidin-2-yl)phenol is CCCC1(c2cccc(O)c2)CCN1.
What is the InChIKey of 3-(2-propylazetidin-2-yl)phenol?
The InChIKey is FUKLSBPBZMVZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-6-12(7-8-13-12)10-4-3-5-11(14)9-10/h3-5,9,13-14H,2,6-8H2,1H3.
What are the key properties of 3-(2-propylazetidin-2-yl)phenol?
3-(2-propylazetidin-2-yl)phenol has a molecular weight of 191.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylazetidin-2-yl)phenol is sourced from PubChem (CID 115058562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).