[3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol

C12H14ClNO — CID 114411346

IUPAC[3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol
SMILESOCc1ccc(N2CC=CCC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO/c13-11-8-10(9-15)4-5-12(11)14-6-2-1-3-7-14/h1-2,4-5,8,15H,3,6-7,9H2
InChIKeySWNJQXFXOKKLHH-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.60
Rot. Bonds2

About [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol

[3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol (PubChem CID 114411346) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol
PubChem CID114411346
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name[3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol
SMILESOCc1ccc(N2CC=CCC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO/c13-11-8-10(9-15)4-5-12(11)14-6-2-1-3-7-14/h1-2,4-5,8,15H,3,6-7,9H2
InChIKeySWNJQXFXOKKLHH-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol?
The IUPAC name of [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol (CID 114411346) is [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol is OCc1ccc(N2CC=CCC2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol?
The InChIKey is SWNJQXFXOKKLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-8-10(9-15)4-5-12(11)14-6-2-1-3-7-14/h1-2,4-5,8,15H,3,6-7,9H2.
What are the key properties of [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol?
[3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol has a molecular weight of 223.70 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol is sourced from PubChem (CID 114411346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).