2-methoxy-1-(3-methoxyphenyl)pentan-1-one

C13H18O3 — CID 116708051

IUPAC2-methoxy-1-(3-methoxyphenyl)pentan-1-one
SMILESCCCC(OC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C13H18O3/c1-4-6-12(16-3)13(14)10-7-5-8-11(9-10)15-2/h5,7-9,12H,4,6H2,1-3H3
InChIKeyFAGPGOVHOKZIPN-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.69
Rot. Bonds6

About 2-methoxy-1-(3-methoxyphenyl)pentan-1-one

2-methoxy-1-(3-methoxyphenyl)pentan-1-one (PubChem CID 116708051) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-methoxy-1-(3-methoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(3-methoxyphenyl)pentan-1-one
PubChem CID116708051
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-methoxy-1-(3-methoxyphenyl)pentan-1-one
SMILESCCCC(OC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C13H18O3/c1-4-6-12(16-3)13(14)10-7-5-8-11(9-10)15-2/h5,7-9,12H,4,6H2,1-3H3
InChIKeyFAGPGOVHOKZIPN-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-methoxypentan-1-one
CID 116708296
2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
CID 139919860
1-(3-methoxybenzoyl)peroxybutyl 3-methoxybenzenecarboperoxoate
CID 173265193
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
3-amino-1-(3-methoxyphenyl)hexan-1-one
CID 116607861
2-(3-methoxybenzoyl)butanenitrile
CID 15416394
2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
2-ethoxy-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116709839
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-methoxy-N,N-dipropylbenzamide
CID 669439
2-amino-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116611446

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methoxyphenyl)pentan-1-one?
The IUPAC name of 2-methoxy-1-(3-methoxyphenyl)pentan-1-one (CID 116708051) is 2-methoxy-1-(3-methoxyphenyl)pentan-1-one.
What is the SMILES notation for 2-methoxy-1-(3-methoxyphenyl)pentan-1-one?
The canonical SMILES for 2-methoxy-1-(3-methoxyphenyl)pentan-1-one is CCCC(OC)C(=O)c1cccc(OC)c1.
What is the InChIKey of 2-methoxy-1-(3-methoxyphenyl)pentan-1-one?
The InChIKey is FAGPGOVHOKZIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-6-12(16-3)13(14)10-7-5-8-11(9-10)15-2/h5,7-9,12H,4,6H2,1-3H3.
What are the key properties of 2-methoxy-1-(3-methoxyphenyl)pentan-1-one?
2-methoxy-1-(3-methoxyphenyl)pentan-1-one has a molecular weight of 222.28 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methoxyphenyl)pentan-1-one is sourced from PubChem (CID 116708051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).