2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one

C25H28O5 — CID 24807933

IUPAC2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one
SMILESCOc1ccc(C(=O)CCC2CCC(CCC(=O)c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C25H28O5/c1-29-21-11-5-17(6-12-21)23(26)15-9-19-3-4-20(25(19)28)10-16-24(27)18-7-13-22(30-2)14-8-18/h5-8,11-14,19-20H,3-4,9-10,15-16H2,1-2H3
InChIKeyHQNUVRINOGRYKH-UHFFFAOYSA-N
MW408.49 g/mol
LogP4.93
Rot. Bonds10

About 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one

2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one (PubChem CID 24807933) has the molecular formula C25H28O5 and a molecular weight of 408.49 g/mol. Its IUPAC name is 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one.

Molecular Properties

Compound Name2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one
PubChem CID24807933
Molecular FormulaC25H28O5
Molecular Weight408.49 g/mol
Exact Mass408.19
IUPAC Name2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one
SMILESCOc1ccc(C(=O)CCC2CCC(CCC(=O)c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C25H28O5/c1-29-21-11-5-17(6-12-21)23(26)15-9-19-3-4-20(25(19)28)10-16-24(27)18-7-13-22(30-2)14-8-18/h5-8,11-14,19-20H,3-4,9-10,15-16H2,1-2H3
InChIKeyHQNUVRINOGRYKH-UHFFFAOYSA-N
XLogP4.93
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119374647
3-butoxy-1-(4-methoxyphenyl)propan-1-one
CID 115002247
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
bis[3-(4-methoxyphenyl)-3-oxopropyl]-methylazanium chloride
CID 11760996
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375
6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574854
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 64522569

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one?
The IUPAC name of 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one (CID 24807933) is 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one.
What is the SMILES notation for 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one?
The canonical SMILES for 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one is COc1ccc(C(=O)CCC2CCC(CCC(=O)c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one?
The InChIKey is HQNUVRINOGRYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O5/c1-29-21-11-5-17(6-12-21)23(26)15-9-19-3-4-20(25(19)28)10-16-24(27)18-7-13-22(30-2)14-8-18/h5-8,11-14,19-20H,3-4,9-10,15-16H2,1-2H3.
What are the key properties of 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one?
2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one has a molecular weight of 408.49 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one is sourced from PubChem (CID 24807933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).