2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran

C12H13ClO — CID 102234179

IUPAC2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CCC(c2ccc(Cl)cc2)OC1
InChIInChI=1S/C12H13ClO/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2-6,12H,7-8H2,1H3
InChIKeyJAYSKKSIBRYMIH-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.75
Rot. Bonds1

About 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran

2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran (PubChem CID 102234179) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran
PubChem CID102234179
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CCC(c2ccc(Cl)cc2)OC1
InChIInChI=1S/C12H13ClO/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2-6,12H,7-8H2,1H3
InChIKeyJAYSKKSIBRYMIH-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran (CID 102234179) is 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran is CC1=CCC(c2ccc(Cl)cc2)OC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran?
The InChIKey is JAYSKKSIBRYMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2-6,12H,7-8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran?
2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran has a molecular weight of 208.69 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 102234179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).