4-chloro-2-methyl-6-pyrrolidin-3-ylphenol

C11H14ClNO — CID 117302392

IUPAC4-chloro-2-methyl-6-pyrrolidin-3-ylphenol
SMILESCc1cc(Cl)cc(C2CCNC2)c1O
InChIInChI=1S/C11H14ClNO/c1-7-4-9(12)5-10(11(7)14)8-2-3-13-6-8/h4-5,8,13-14H,2-3,6H2,1H3
InChIKeyYGQABQDCTOZGQC-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.43
Rot. Bonds1

About 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol

4-chloro-2-methyl-6-pyrrolidin-3-ylphenol (PubChem CID 117302392) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name4-chloro-2-methyl-6-pyrrolidin-3-ylphenol
PubChem CID117302392
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name4-chloro-2-methyl-6-pyrrolidin-3-ylphenol
SMILESCc1cc(Cl)cc(C2CCNC2)c1O
InChIInChI=1S/C11H14ClNO/c1-7-4-9(12)5-10(11(7)14)8-2-3-13-6-8/h4-5,8,13-14H,2-3,6H2,1H3
InChIKeyYGQABQDCTOZGQC-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
CID 117116664
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
3-[4-(3-chlorophenyl)sulfanyl-2-methylphenyl]pyrrolidine
CID 143667215
(4S)-4-(5-chloro-2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185976

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol?
The IUPAC name of 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol (CID 117302392) is 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol.
What is the SMILES notation for 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol?
The canonical SMILES for 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol is Cc1cc(Cl)cc(C2CCNC2)c1O.
What is the InChIKey of 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol?
The InChIKey is YGQABQDCTOZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-4-9(12)5-10(11(7)14)8-2-3-13-6-8/h4-5,8,13-14H,2-3,6H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol?
4-chloro-2-methyl-6-pyrrolidin-3-ylphenol has a molecular weight of 211.69 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-pyrrolidin-3-ylphenol is sourced from PubChem (CID 117302392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).