(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine

C11H14ClNO2 — CID 86322342

IUPAC(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
SMILESCOc1ccc(O[C@@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-14-8-2-3-11(10(12)6-8)15-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyBFZCDKCGQBYEBW-SECBINFHSA-N
MW227.69 g/mol
LogP2.09
Rot. Bonds3

About (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine

(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine (PubChem CID 86322342) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
PubChem CID86322342
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
SMILESCOc1ccc(O[C@@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-14-8-2-3-11(10(12)6-8)15-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyBFZCDKCGQBYEBW-SECBINFHSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-5-methoxyphenoxy)pyrrolidine
CID 84691503
3-(5-methoxy-2-methylphenoxy)pyrrolidine
CID 84675320
(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321
3-(2-chloro-4-propan-2-ylphenoxy)pyrrolidine
CID 56830812
(3S)-3-(4-methoxy-2-nitrophenoxy)pyrrolidine
CID 115460380
(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
CID 129319949
3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805
(3R)-3-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]pyrrolidine
CID 86322289
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 141190675
(3S)-3-[4-chloro-2-(4-methylphenoxy)phenoxy]pyrrolidine
CID 46216005

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine?
The IUPAC name of (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine (CID 86322342) is (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine is COc1ccc(O[C@@H]2CCNC2)c(Cl)c1.
What is the InChIKey of (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine?
The InChIKey is BFZCDKCGQBYEBW-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-14-8-2-3-11(10(12)6-8)15-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine?
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine has a molecular weight of 227.69 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine is sourced from PubChem (CID 86322342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).