1,5-dimethoxy-3-methyl-1-phenylpentan-2-one

C14H20O3 — CID 116751519

IUPAC1,5-dimethoxy-3-methyl-1-phenylpentan-2-one
SMILESCOCCC(C)C(=O)C(OC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-11(9-10-16-2)13(15)14(17-3)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKeyZJIKLDQBTAAAMB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.62
Rot. Bonds7

About 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one

1,5-dimethoxy-3-methyl-1-phenylpentan-2-one (PubChem CID 116751519) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one.

Molecular Properties

Compound Name1,5-dimethoxy-3-methyl-1-phenylpentan-2-one
PubChem CID116751519
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1,5-dimethoxy-3-methyl-1-phenylpentan-2-one
SMILESCOCCC(C)C(=O)C(OC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-11(9-10-16-2)13(15)14(17-3)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKeyZJIKLDQBTAAAMB-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methoxy-1-phenylpentan-2-one
CID 116751408
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
CID 59883683
CID 59883683
6-methoxy-4-methyl-2-phenylhexanoic acid
CID 116500424
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
2-methoxy-2-phenylacetate
CID 4569340
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
(3-methoxy-1-phenylpropyl)carbamic acid
CID 67224649
(3R,4S,5R)-3,4,5,6-tetrahydroxy-1-methoxy-1-phenylhexan-2-one
CID 54041421
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
CID 55038053
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one?
The IUPAC name of 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one (CID 116751519) is 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one.
What is the SMILES notation for 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one?
The canonical SMILES for 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one is COCCC(C)C(=O)C(OC)c1ccccc1.
What is the InChIKey of 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one?
The InChIKey is ZJIKLDQBTAAAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(9-10-16-2)13(15)14(17-3)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3.
What are the key properties of 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one?
1,5-dimethoxy-3-methyl-1-phenylpentan-2-one has a molecular weight of 236.31 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3-methyl-1-phenylpentan-2-one is sourced from PubChem (CID 116751519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).