1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one

C25H30O3 — CID 73011725

IUPAC1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
SMILESCOc1ccccc1C(CC(=O)CC(c1ccccc1OC)C1CC1)C1CC1
InChIInChI=1S/C25H30O3/c1-27-24-9-5-3-7-20(24)22(17-11-12-17)15-19(26)16-23(18-13-14-18)21-8-4-6-10-25(21)28-2/h3-10,17-18,22-23H,11-16H2,1-2H3
InChIKeyUGEYBKATTYOYQV-UHFFFAOYSA-N
MW378.51 g/mol
LogP5.74
Rot. Bonds10

About 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one

1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one (PubChem CID 73011725) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
PubChem CID73011725
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
SMILESCOc1ccccc1C(CC(=O)CC(c1ccccc1OC)C1CC1)C1CC1
InChIInChI=1S/C25H30O3/c1-27-24-9-5-3-7-20(24)22(17-11-12-17)15-19(26)16-23(18-13-14-18)21-8-4-6-10-25(21)28-2/h3-10,17-18,22-23H,11-16H2,1-2H3
InChIKeyUGEYBKATTYOYQV-UHFFFAOYSA-N
XLogP5.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
(1S,5S)-1,5-dicyclopropyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304291
1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011663
1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011538
3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117442474
3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117469192
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
3-cyclopropyl-3-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117490730
(1R,5S)-1,5-dicyclopentyl-1,5-bis(2,3-dimethylphenyl)pentan-3-one
CID 97304244

Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one?
The IUPAC name of 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one (CID 73011725) is 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one.
What is the SMILES notation for 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one?
The canonical SMILES for 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one is COc1ccccc1C(CC(=O)CC(c1ccccc1OC)C1CC1)C1CC1.
What is the InChIKey of 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one?
The InChIKey is UGEYBKATTYOYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3/c1-27-24-9-5-3-7-20(24)22(17-11-12-17)15-19(26)16-23(18-13-14-18)21-8-4-6-10-25(21)28-2/h3-10,17-18,22-23H,11-16H2,1-2H3.
What are the key properties of 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one?
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one has a molecular weight of 378.51 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one is sourced from PubChem (CID 73011725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).