1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one

C15H22O4 — CID 83224989

IUPAC1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one
SMILESCCCOC(C(=O)CC)c1cccc(OC)c1OC
InChIInChI=1S/C15H22O4/c1-5-10-19-14(12(16)6-2)11-8-7-9-13(17-3)15(11)18-4/h7-9,14H,5-6,10H2,1-4H3
InChIKeyMAUKOWXBDURMOP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.15
Rot. Bonds8

About 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one

1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one (PubChem CID 83224989) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one
PubChem CID83224989
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one
SMILESCCCOC(C(=O)CC)c1cccc(OC)c1OC
InChIInChI=1S/C15H22O4/c1-5-10-19-14(12(16)6-2)11-8-7-9-13(17-3)15(11)18-4/h7-9,14H,5-6,10H2,1-4H3
InChIKeyMAUKOWXBDURMOP-UHFFFAOYSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
1-(2,6-dimethylphenyl)-1-propoxybutan-2-one
CID 83225378
1-(2,3-dimethoxyphenyl)-2-propoxyethanol
CID 79567810
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62394370
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate
CID 145114248
1-chloro-1-(3-ethoxy-2-methoxyphenyl)butan-2-one
CID 82161484
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62397786
1-chloro-1-(3-hexoxy-2-methoxyphenyl)butan-2-one
CID 82160613
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
2-(2,3-dimethoxyphenyl)butanal
CID 24973232
(2S)-2-amino-2-(3-methoxy-2-propoxyphenyl)acetic acid
CID 7139541
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one (CID 83224989) is 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one is CCCOC(C(=O)CC)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one?
The InChIKey is MAUKOWXBDURMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-10-19-14(12(16)6-2)11-8-7-9-13(17-3)15(11)18-4/h7-9,14H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one?
1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one is sourced from PubChem (CID 83224989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).