2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol

C12H16ClNO2 — CID 103542192

IUPAC2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
SMILESCOC1CCN(Cc2cccc(Cl)c2O)C1
InChIInChI=1S/C12H16ClNO2/c1-16-10-5-6-14(8-10)7-9-3-2-4-11(13)12(9)15/h2-4,10,15H,5-8H2,1H3
InChIKeyUDBCZDMUHGKUKG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.27
Rot. Bonds3

About 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol

2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol (PubChem CID 103542192) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
PubChem CID103542192
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
SMILESCOC1CCN(Cc2cccc(Cl)c2O)C1
InChIInChI=1S/C12H16ClNO2/c1-16-10-5-6-14(8-10)7-9-3-2-4-11(13)12(9)15/h2-4,10,15H,5-8H2,1H3
InChIKeyUDBCZDMUHGKUKG-UHFFFAOYSA-N
XLogP2.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
CID 112553476
(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
CID 172647800
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
2-chloro-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenol
CID 114272041
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine
CID 170037706
3-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 103533736
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
1-methanidyl-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2,3-dihydro-1H-indol-1-ium
CID 166016894
(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-3-methoxypiperidin-4-amine
CID 133133036
2-chloro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 115903994

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol (CID 103542192) is 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol is COC1CCN(Cc2cccc(Cl)c2O)C1.
What is the InChIKey of 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol?
The InChIKey is UDBCZDMUHGKUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-10-5-6-14(8-10)7-9-3-2-4-11(13)12(9)15/h2-4,10,15H,5-8H2,1H3.
What are the key properties of 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol?
2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol has a molecular weight of 241.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 103542192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).