3-(4-chlorophenyl)-3,4-dihydro-2H-pyran

C11H11ClO — CID 132502452

IUPAC3-(4-chlorophenyl)-3,4-dihydro-2H-pyran
SMILESClc1ccc(C2CC=COC2)cc1
InChIInChI=1S/C11H11ClO/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1,3-7,10H,2,8H2
InChIKeyLAUDFBMTZPIQNB-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.36
Rot. Bonds1

About 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran

3-(4-chlorophenyl)-3,4-dihydro-2H-pyran (PubChem CID 132502452) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3,4-dihydro-2H-pyran
PubChem CID132502452
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name3-(4-chlorophenyl)-3,4-dihydro-2H-pyran
SMILESClc1ccc(C2CC=COC2)cc1
InChIInChI=1S/C11H11ClO/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1,3-7,10H,2,8H2
InChIKeyLAUDFBMTZPIQNB-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran 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-(4-chlorophenyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran (CID 132502452) is 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran is Clc1ccc(C2CC=COC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran?
The InChIKey is LAUDFBMTZPIQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1,3-7,10H,2,8H2.
What are the key properties of 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran?
3-(4-chlorophenyl)-3,4-dihydro-2H-pyran has a molecular weight of 194.66 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 132502452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).