1-methoxy-2-phenylhexan-3-one

C13H18O2 — CID 103466352

IUPAC1-methoxy-2-phenylhexan-3-one
SMILESCCCC(=O)C(COC)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-7-13(14)12(10-15-2)11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3
InChIKeyGTQOYQGJYBVTBI-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.79
Rot. Bonds6

About 1-methoxy-2-phenylhexan-3-one

1-methoxy-2-phenylhexan-3-one (PubChem CID 103466352) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methoxy-2-phenylhexan-3-one.

Molecular Properties

Compound Name1-methoxy-2-phenylhexan-3-one
PubChem CID103466352
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-methoxy-2-phenylhexan-3-one
SMILESCCCC(=O)C(COC)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-7-13(14)12(10-15-2)11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3
InChIKeyGTQOYQGJYBVTBI-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-phenylhexan-3-one
CID 116566947
octyl 3-methoxy-2-phenylpropanoate
CID 138629513
1-methoxy-4,4-dimethyl-2-phenylhexan-3-one
CID 70904640
3-(2-methoxyethoxy)-2-phenylpropanoic acid
CID 63073447
3-phenyltetradecan-4-one
CID 114968845
5-methoxy-1,1-diphenylpentan-2-one
CID 115601489
1-amino-2-phenylundecan-3-one
CID 116566909
2-methyl-4-phenyldecan-5-one
CID 175352694
propyl 3-ethoxy-2-phenylpropanoate
CID 138629515
ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate
CID 120990918
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
ethyl 2-phenylbutanoate;sulfane
CID 174662373

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-phenylhexan-3-one?
The IUPAC name of 1-methoxy-2-phenylhexan-3-one (CID 103466352) is 1-methoxy-2-phenylhexan-3-one.
What is the SMILES notation for 1-methoxy-2-phenylhexan-3-one?
The canonical SMILES for 1-methoxy-2-phenylhexan-3-one is CCCC(=O)C(COC)c1ccccc1.
What is the InChIKey of 1-methoxy-2-phenylhexan-3-one?
The InChIKey is GTQOYQGJYBVTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-7-13(14)12(10-15-2)11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3.
What are the key properties of 1-methoxy-2-phenylhexan-3-one?
1-methoxy-2-phenylhexan-3-one has a molecular weight of 206.29 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-phenylhexan-3-one is sourced from PubChem (CID 103466352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).