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

C11H11ClO — CID 11356028

IUPAC2-(4-chlorophenyl)-3,4-dihydro-2H-pyran
SMILESClc1ccc(C2CCC=CO2)cc1
InChIInChI=1S/C11H11ClO/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h2,4-8,11H,1,3H2
InChIKeyTULAXXJKMBRMJJ-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.71
Rot. Bonds1

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

2-(4-chlorophenyl)-3,4-dihydro-2H-pyran (PubChem CID 11356028) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,4-dihydro-2H-pyran
PubChem CID11356028
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name2-(4-chlorophenyl)-3,4-dihydro-2H-pyran
SMILESClc1ccc(C2CCC=CO2)cc1
InChIInChI=1S/C11H11ClO/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h2,4-8,11H,1,3H2
InChIKeyTULAXXJKMBRMJJ-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-(4-chlorophenyl)-3,4-dihydro-2H-pyran (CID 11356028) is 2-(4-chlorophenyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-(4-chlorophenyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-(4-chlorophenyl)-3,4-dihydro-2H-pyran is Clc1ccc(C2CCC=CO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3,4-dihydro-2H-pyran?
The InChIKey is TULAXXJKMBRMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h2,4-8,11H,1,3H2.
What are the key properties of 2-(4-chlorophenyl)-3,4-dihydro-2H-pyran?
2-(4-chlorophenyl)-3,4-dihydro-2H-pyran has a molecular weight of 194.66 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11356028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).