[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol

C12H16ClNO — CID 60974509

IUPAC[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol
SMILESCC1CCCN1c1cccc(Cl)c1CO
InChIInChI=1S/C12H16ClNO/c1-9-4-3-7-14(9)12-6-2-5-11(13)10(12)8-15/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyWNZUNHUDRBJTTC-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.82
Rot. Bonds2

About [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol

[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol (PubChem CID 60974509) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol
PubChem CID60974509
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol
SMILESCC1CCCN1c1cccc(Cl)c1CO
InChIInChI=1S/C12H16ClNO/c1-9-4-3-7-14(9)12-6-2-5-11(13)10(12)8-15/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyWNZUNHUDRBJTTC-UHFFFAOYSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanol
CID 62331045
2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783024
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methanol
CID 82750860
[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
CID 114845110
[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
CID 43586235
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 55134862
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114065587
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chlorophenyl]methanol
CID 43620553
1-[2-(bromomethyl)-3-chlorophenyl]-2-ethylpyrrolidine
CID 107080748
[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268
[3-(2-methylpyrrolidin-1-yl)phenyl]methanol
CID 104549151

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol?
The IUPAC name of [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol (CID 60974509) is [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol is CC1CCCN1c1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol?
The InChIKey is WNZUNHUDRBJTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-4-3-7-14(9)12-6-2-5-11(13)10(12)8-15/h2,5-6,9,15H,3-4,7-8H2,1H3.
What are the key properties of [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol?
[2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol has a molecular weight of 225.72 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-methylpyrrolidin-1-yl)phenyl]methanol is sourced from PubChem (CID 60974509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).