2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol

C12H17NO — CID 130691966

IUPAC2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
SMILESCCc1c(O)cccc1[C@H]1CCNC1
InChIInChI=1S/C12H17NO/c1-2-10-11(4-3-5-12(10)14)9-6-7-13-8-9/h3-5,9,13-14H,2,6-8H2,1H3/t9-/m0/s1
InChIKeyZOELCZJPOINZJB-VIFPVBQESA-N
MW191.27 g/mol
LogP2.03
Rot. Bonds2

About 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol

2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol (PubChem CID 130691966) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
PubChem CID130691966
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
SMILESCCc1c(O)cccc1[C@H]1CCNC1
InChIInChI=1S/C12H17NO/c1-2-10-11(4-3-5-12(10)14)9-6-7-13-8-9/h3-5,9,13-14H,2,6-8H2,1H3/t9-/m0/s1
InChIKeyZOELCZJPOINZJB-VIFPVBQESA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
2-amino-3-piperidin-4-ylphenol
CID 117103764
2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
CID 131145885
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
2-chloro-6-pyrrolidin-3-ylaniline
CID 117103718
3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
3-amino-2-pyrrolidin-3-ylphenol
CID 117103671
3-[2-(fluoromethyl)phenyl]pyrrolidine
CID 84657076

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol?
The IUPAC name of 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol (CID 130691966) is 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol.
What is the SMILES notation for 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol?
The canonical SMILES for 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol is CCc1c(O)cccc1[C@H]1CCNC1.
What is the InChIKey of 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol?
The InChIKey is ZOELCZJPOINZJB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO/c1-2-10-11(4-3-5-12(10)14)9-6-7-13-8-9/h3-5,9,13-14H,2,6-8H2,1H3/t9-/m0/s1.
What are the key properties of 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol?
2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol is sourced from PubChem (CID 130691966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).