1-[2-(3-propylazetidin-1-yl)phenyl]ethanol

C14H21NO — CID 104549305

IUPAC1-[2-(3-propylazetidin-1-yl)phenyl]ethanol
SMILESCCCC1CN(c2ccccc2C(C)O)C1
InChIInChI=1S/C14H21NO/c1-3-6-12-9-15(10-12)14-8-5-4-7-13(14)11(2)16/h4-5,7-8,11-12,16H,3,6,9-10H2,1-2H3
InChIKeyMMQZWXNDAFQULL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds4

About 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol

1-[2-(3-propylazetidin-1-yl)phenyl]ethanol (PubChem CID 104549305) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-propylazetidin-1-yl)phenyl]ethanol
PubChem CID104549305
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-(3-propylazetidin-1-yl)phenyl]ethanol
SMILESCCCC1CN(c2ccccc2C(C)O)C1
InChIInChI=1S/C14H21NO/c1-3-6-12-9-15(10-12)14-8-5-4-7-13(14)11(2)16/h4-5,7-8,11-12,16H,3,6,9-10H2,1-2H3
InChIKeyMMQZWXNDAFQULL-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol (CID 104549305) is 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol is CCCC1CN(c2ccccc2C(C)O)C1.
What is the InChIKey of 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol?
The InChIKey is MMQZWXNDAFQULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-6-12-9-15(10-12)14-8-5-4-7-13(14)11(2)16/h4-5,7-8,11-12,16H,3,6,9-10H2,1-2H3.
What are the key properties of 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol?
1-[2-(3-propylazetidin-1-yl)phenyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propylazetidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 104549305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).