4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one

C17H25NO4 — CID 2467

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IUPAC4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
SMILESCOc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
InChIInChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3
InChIKeyOWYLAEYXIQKAOL-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.77
Rot. Bonds8

About 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one

4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one (PubChem CID 2467) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
PubChem CID2467
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
SMILESCOc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
InChIInChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3
InChIKeyOWYLAEYXIQKAOL-UHFFFAOYSA-N
XLogP2.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Buflomedil Hydrochloride
CID 6420013
Ethanone, 1-(2,4,6-trimethoxyphenyl)-
CID 123089
Eugenone
CID 5317271
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,4-dimethoxybenzoate
CID 2474678
3,6-Bis[5-(diethylamino)pentoxy]xanthen-9-one
CID 10185899
7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one
CID 13923988
(E)-1-[4-[4-(diethylamino)butoxy]-2-hydroxyphenyl]-3-[4-[4-(diethylamino)butoxy]phenyl]prop-2-en-1-one
CID 155523992
2-Buten-1-one, 1-(2,4,6-trimethoxyphenyl)-, (E)-
CID 14162647
Fla 11I
CID 11912
7-[3-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-4-one
CID 14809092
(2,4-dimethoxyphenyl){1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}methanone
CID 16191216
(Z)-2-(4-methoxybenzylidene)-6-(2-(piperidin-1-yl)ethoxy)benzofuran-3(2H)-one
CID 16450276

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one?
The IUPAC name of 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one (CID 2467) is 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one.
What is the SMILES notation for 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one?
The canonical SMILES for 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one is COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.
What is the InChIKey of 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one?
The InChIKey is OWYLAEYXIQKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one?
4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one has a molecular weight of 307.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one is sourced from PubChem (CID 2467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).