2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol

C11H14ClNO2 — CID 66519193

IUPAC2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
SMILESCOc1cc([C@@H]2CCCN2)cc(Cl)c1O
InChIInChI=1S/C11H14ClNO2/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/t9-/m0/s1
InChIKeyBCSMAWNZVNCTDC-VIFPVBQESA-N
MW227.69 g/mol
LogP2.48
Rot. Bonds2

About 2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol

2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 66519193) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID66519193
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
SMILESCOc1cc([C@@H]2CCCN2)cc(Cl)c1O
InChIInChI=1S/C11H14ClNO2/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/t9-/m0/s1
InChIKeyBCSMAWNZVNCTDC-VIFPVBQESA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
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
(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
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
CID 117452488
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol
CID 117377260
(4R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,3-oxazinan-2-one
CID 171185353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol (CID 66519193) is 2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol is COc1cc([C@@H]2CCCN2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is BCSMAWNZVNCTDC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14ClNO2/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/t9-/m0/s1.
What are the key properties of 2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol?
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 227.69 g/mol, XLogP of 2.48, 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-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66519193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).