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

C13H16O — CID 54040737

IUPAC4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(c2ccc(C)cc2)C1
InChIInChI=1S/C13H16O/c1-10-3-5-12(6-4-10)13-9-11(2)7-8-14-13/h3-7,13H,8-9H2,1-2H3
InChIKeyLMDIUAJJZPCCOR-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.40
Rot. Bonds1

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

4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran (PubChem CID 54040737) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran
PubChem CID54040737
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(c2ccc(C)cc2)C1
InChIInChI=1S/C13H16O/c1-10-3-5-12(6-4-10)13-9-11(2)7-8-14-13/h3-7,13H,8-9H2,1-2H3
InChIKeyLMDIUAJJZPCCOR-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.40
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 4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran (CID 54040737) is 4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran is CC1=CCOC(c2ccc(C)cc2)C1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran?
The InChIKey is LMDIUAJJZPCCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-3-5-12(6-4-10)13-9-11(2)7-8-14-13/h3-7,13H,8-9H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran?
4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran has a molecular weight of 188.27 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 54040737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).