1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol

C14H20ClNO2 — CID 102782260

IUPAC1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CCC(C)C2CO)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-5-6-16(14(9)8-17)11-3-4-12(10(2)18)13(15)7-11/h3-4,7,9-10,14,17-18H,5-6,8H2,1-2H3
InChIKeyHMQSJTDVJVXMGR-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.60
Rot. Bonds3

About 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol

1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol (PubChem CID 102782260) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
PubChem CID102782260
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CCC(C)C2CO)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-5-6-16(14(9)8-17)11-3-4-12(10(2)18)13(15)7-11/h3-4,7,9-10,14,17-18H,5-6,8H2,1-2H3
InChIKeyHMQSJTDVJVXMGR-UHFFFAOYSA-N
XLogP2.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782294
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol
CID 114066937
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
4-[3-chloro-4-(1-hydroxyethyl)phenyl]-3-methylpiperazine-2,6-dione
CID 66061005
1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol
CID 83220393
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanone
CID 102781685
(1R)-1-[5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 102782283
(1S)-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-pyridinyl]ethanol
CID 102782329
1-[2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]ethanol
CID 103535445
1-[2-chloro-4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanol
CID 66382604

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol (CID 102782260) is 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol is CC(O)c1ccc(N2CCC(C)C2CO)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is HMQSJTDVJVXMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-5-6-16(14(9)8-17)11-3-4-12(10(2)18)13(15)7-11/h3-4,7,9-10,14,17-18H,5-6,8H2,1-2H3.
What are the key properties of 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol?
1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 269.77 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 102782260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).