1-methoxy-4-methyl-1-phenylpentan-2-one

C13H18O2 — CID 86204563

IUPAC1-methoxy-4-methyl-1-phenylpentan-2-one
SMILESCOC(C(=O)CC(C)C)c1ccccc1
InChIInChI=1S/C13H18O2/c1-10(2)9-12(14)13(15-3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKeyBPQHSPAVGHTIDM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.99
Rot. Bonds5

About 1-methoxy-4-methyl-1-phenylpentan-2-one

1-methoxy-4-methyl-1-phenylpentan-2-one (PubChem CID 86204563) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methoxy-4-methyl-1-phenylpentan-2-one.

Molecular Properties

Compound Name1-methoxy-4-methyl-1-phenylpentan-2-one
PubChem CID86204563
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-methoxy-4-methyl-1-phenylpentan-2-one
SMILESCOC(C(=O)CC(C)C)c1ccccc1
InChIInChI=1S/C13H18O2/c1-10(2)9-12(14)13(15-3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKeyBPQHSPAVGHTIDM-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-4-methyl-1-phenylpentan-2-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

CID 59883683
CID 59883683
(3R)-3-[hydroxy(phenyl)methyl]-2,6-dimethylheptan-4-one
CID 23253184
1-methoxy-1,5-diphenylpentan-2-one
CID 116751355
2-methoxy-2-phenylacetate
CID 4569340
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
3-methoxy-3-phenylpropanoic acid
CID 13379217
3-ethyl-1-methoxy-1-phenylpentan-2-one
CID 116751408
1-methoxy-1-phenylhept-6-en-2-one
CID 116751531
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-1-phenylpentan-2-one?
The IUPAC name of 1-methoxy-4-methyl-1-phenylpentan-2-one (CID 86204563) is 1-methoxy-4-methyl-1-phenylpentan-2-one.
What is the SMILES notation for 1-methoxy-4-methyl-1-phenylpentan-2-one?
The canonical SMILES for 1-methoxy-4-methyl-1-phenylpentan-2-one is COC(C(=O)CC(C)C)c1ccccc1.
What is the InChIKey of 1-methoxy-4-methyl-1-phenylpentan-2-one?
The InChIKey is BPQHSPAVGHTIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)9-12(14)13(15-3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3.
What are the key properties of 1-methoxy-4-methyl-1-phenylpentan-2-one?
1-methoxy-4-methyl-1-phenylpentan-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-1-phenylpentan-2-one is sourced from PubChem (CID 86204563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).