1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one

C17H26O2 — CID 115797809

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C17H26O2/c1-6-8-14(9-7-2)17(18)15-10-13(4)16(19-5)11-12(15)3/h10-11,14H,6-9H2,1-5H3
InChIKeyCXQBAPQEPGTMRW-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.71
Rot. Bonds7

About 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one

1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one (PubChem CID 115797809) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
PubChem CID115797809
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C17H26O2/c1-6-8-14(9-7-2)17(18)15-10-13(4)16(19-5)11-12(15)3/h10-11,14H,6-9H2,1-5H3
InChIKeyCXQBAPQEPGTMRW-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one 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

1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
CID 43626575
2-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 112512495
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
4-(4-methoxy-2,5-dimethylphenyl)-4-oxo-3-(propylamino)butanoic acid
CID 82350041
2-amino-1-(4-methoxy-2,5-dimethylphenyl)-4-methylsulfonylbutan-1-one
CID 116552006
1-(4-methoxy-2,5-dimethylphenyl)-2-methylsulfonylpropan-1-one
CID 115797703
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 105127255
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,3-dione
CID 94262228
1-(4-methoxy-2,5-dimethylphenyl)-3-methylbutane-1,2-dione
CID 82129213
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
methyl 2-(4-methoxy-2,5-dimethylphenyl)prop-2-enoate
CID 116843208

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one (CID 115797809) is 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one?
The InChIKey is CXQBAPQEPGTMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-8-14(9-7-2)17(18)15-10-13(4)16(19-5)11-12(15)3/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one?
1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one has a molecular weight of 262.39 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one is sourced from PubChem (CID 115797809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).