2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

C20H25F2NO3 — CID 145415542

IUPAC2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
SMILESOCc1ccc(OCCN2CCCC2)cc1.Oc1ccccc1C(F)F
InChIInChI=1S/C13H19NO2.C7H6F2O/c15-11-12-3-5-13(6-4-12)16-10-9-14-7-1-2-8-14;8-7(9)5-3-1-2-4-6(5)10/h3-6,15H,1-2,7-11H2;1-4,7,10H
InChIKeyRUBQXFOJAXPSBB-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.98
Rot. Bonds6

About 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol (PubChem CID 145415542) has the molecular formula C20H25F2NO3 and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
PubChem CID145415542
Molecular FormulaC20H25F2NO3
Molecular Weight365.42 g/mol
Exact Mass365.18
IUPAC Name2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
SMILESOCc1ccc(OCCN2CCCC2)cc1.Oc1ccccc1C(F)F
InChIInChI=1S/C13H19NO2.C7H6F2O/c15-11-12-3-5-13(6-4-12)16-10-9-14-7-1-2-8-14;8-7(9)5-3-1-2-4-6(5)10/h3-6,15H,1-2,7-11H2;1-4,7,10H
InChIKeyRUBQXFOJAXPSBB-UHFFFAOYSA-N
XLogP3.98
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;1,2-dichloroethane;[4-(2-piperidin-1-ylethoxy)phenyl]methanol;thionyl dichloride
CID 159224641
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
[4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]phenyl]methanol
CID 23381012
2-[9-[4-(2-piperidin-1-ylethoxy)phenyl]fluoren-9-yl]phenol
CID 174662801
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 66515465

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
The IUPAC name of 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol (CID 145415542) is 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
The canonical SMILES for 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol is OCc1ccc(OCCN2CCCC2)cc1.Oc1ccccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
The InChIKey is RUBQXFOJAXPSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C7H6F2O/c15-11-12-3-5-13(6-4-12)16-10-9-14-7-1-2-8-14;8-7(9)5-3-1-2-4-6(5)10/h3-6,15H,1-2,7-11H2;1-4,7,10H.
What are the key properties of 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol?
2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol has a molecular weight of 365.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 145415542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).