6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran

C18H26O — CID 118583432

IUPAC6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran
SMILESCCCC1=CCC(Cc2cc(C)c(C)cc2C)CO1
InChIInChI=1S/C18H26O/c1-5-6-18-8-7-16(12-19-18)11-17-10-14(3)13(2)9-15(17)4/h8-10,16H,5-7,11-12H2,1-4H3
InChIKeyYCLZYROBYYNBPV-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.87
Rot. Bonds4

About 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran

6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran (PubChem CID 118583432) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran
PubChem CID118583432
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran
SMILESCCCC1=CCC(Cc2cc(C)c(C)cc2C)CO1
InChIInChI=1S/C18H26O/c1-5-6-18-8-7-16(12-19-18)11-17-10-14(3)13(2)9-15(17)4/h8-10,16H,5-7,11-12H2,1-4H3
InChIKeyYCLZYROBYYNBPV-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-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 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran (CID 118583432) is 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran is CCCC1=CCC(Cc2cc(C)c(C)cc2C)CO1.
What is the InChIKey of 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran?
The InChIKey is YCLZYROBYYNBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-5-6-18-8-7-16(12-19-18)11-17-10-14(3)13(2)9-15(17)4/h8-10,16H,5-7,11-12H2,1-4H3.
What are the key properties of 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran?
6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran has a molecular weight of 258.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3-[(2,4,5-trimethylphenyl)methyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).