2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride

C11H15Cl2NO2 — CID 171196156

IUPAC2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCOc1cc([C@H]2CCCN2)cc(Cl)c1O.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-15-10-6-7(5-8(12)11(10)14)9-3-2-4-13-9;/h5-6,9,13-14H,2-4H2,1H3;1H/t9-;/m1./s1
InChIKeyYMQZCLXGMOTVRA-SBSPUUFOSA-N
MW264.15 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride

2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride (PubChem CID 171196156) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
PubChem CID171196156
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCOc1cc([C@H]2CCCN2)cc(Cl)c1O.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-15-10-6-7(5-8(12)11(10)14)9-3-2-4-13-9;/h5-6,9,13-14H,2-4H2,1H3;1H/t9-;/m1./s1
InChIKeyYMQZCLXGMOTVRA-SBSPUUFOSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
CID 176965942
CID 176965942
2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
CID 117452488
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol
CID 117377260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The IUPAC name of 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride (CID 171196156) is 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The canonical SMILES for 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride is COc1cc([C@H]2CCCN2)cc(Cl)c1O.Cl.
What is the InChIKey of 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The InChIKey is YMQZCLXGMOTVRA-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H14ClNO2.ClH/c1-15-10-6-7(5-8(12)11(10)14)9-3-2-4-13-9;/h5-6,9,13-14H,2-4H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride has a molecular weight of 264.15 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 171196156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).