5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran

C13H16O — CID 174721958

IUPAC5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran
SMILESCc1cc(C)cc(C2=CCCOC2)c1
InChIInChI=1S/C13H16O/c1-10-6-11(2)8-13(7-10)12-4-3-5-14-9-12/h4,6-8H,3,5,9H2,1-2H3
InChIKeyHEXLLSZCSZQSTN-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.11
Rot. Bonds1

About 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran

5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran (PubChem CID 174721958) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran
PubChem CID174721958
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran
SMILESCc1cc(C)cc(C2=CCCOC2)c1
InChIInChI=1S/C13H16O/c1-10-6-11(2)8-13(7-10)12-4-3-5-14-9-12/h4,6-8H,3,5,9H2,1-2H3
InChIKeyHEXLLSZCSZQSTN-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(3,5-dimethylphenyl)-3,6-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

Related Compounds

4-(3,5-dimethylphenyl)cyclohex-3-en-1-ol
CID 142209258
4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine
CID 53434523
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline
CID 115741866
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 102653596
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
[2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methyl]hydrazine
CID 102654461
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 102653132
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
8-methyl-6,7-dihydro-4H-1,3-benzodioxine
CID 89384807

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran (CID 174721958) is 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran is Cc1cc(C)cc(C2=CCCOC2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran?
The InChIKey is HEXLLSZCSZQSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-6-11(2)8-13(7-10)12-4-3-5-14-9-12/h4,6-8H,3,5,9H2,1-2H3.
What are the key properties of 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran?
5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran has a molecular weight of 188.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 174721958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).