4-(4-chlorophenyl)-3,6-dihydro-2H-pyran

C11H11ClO — CID 91180131

IUPAC4-(4-chlorophenyl)-3,6-dihydro-2H-pyran
SMILESClc1ccc(C2=CCOCC2)cc1
InChIInChI=1S/C11H11ClO/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5H,6-8H2
InChIKeyCMQKKFVXEJULFO-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.14
Rot. Bonds1

About 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran

4-(4-chlorophenyl)-3,6-dihydro-2H-pyran (PubChem CID 91180131) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3,6-dihydro-2H-pyran
PubChem CID91180131
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name4-(4-chlorophenyl)-3,6-dihydro-2H-pyran
SMILESClc1ccc(C2=CCOCC2)cc1
InChIInChI=1S/C11H11ClO/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5H,6-8H2
InChIKeyCMQKKFVXEJULFO-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran (CID 91180131) is 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran is Clc1ccc(C2=CCOCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran?
The InChIKey is CMQKKFVXEJULFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5H,6-8H2.
What are the key properties of 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran?
4-(4-chlorophenyl)-3,6-dihydro-2H-pyran has a molecular weight of 194.66 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 91180131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).