cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol

C20H33NO2 — CID 50907301

IUPACcyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol
SMILESCCCCN(CCCC)CCOc1ccc(C(O)C2CC2)cc1
InChIInChI=1S/C20H33NO2/c1-3-5-13-21(14-6-4-2)15-16-23-19-11-9-18(10-12-19)20(22)17-7-8-17/h9-12,17,20,22H,3-8,13-16H2,1-2H3
InChIKeyCVRFMLBEOWBFQU-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.41
Rot. Bonds12

About cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol

cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol (PubChem CID 50907301) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol
PubChem CID50907301
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Namecyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol
SMILESCCCCN(CCCC)CCOc1ccc(C(O)C2CC2)cc1
InChIInChI=1S/C20H33NO2/c1-3-5-13-21(14-6-4-2)15-16-23-19-11-9-18(10-12-19)20(22)17-7-8-17/h9-12,17,20,22H,3-8,13-16H2,1-2H3
InChIKeyCVRFMLBEOWBFQU-UHFFFAOYSA-N
XLogP4.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol?
The IUPAC name of cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol (CID 50907301) is cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol.
What is the SMILES notation for cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol?
The canonical SMILES for cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol is CCCCN(CCCC)CCOc1ccc(C(O)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol?
The InChIKey is CVRFMLBEOWBFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-5-13-21(14-6-4-2)15-16-23-19-11-9-18(10-12-19)20(22)17-7-8-17/h9-12,17,20,22H,3-8,13-16H2,1-2H3.
What are the key properties of cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol?
cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol has a molecular weight of 319.49 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(dibutylamino)ethoxy]phenyl]methanol is sourced from PubChem (CID 50907301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).