1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one

C23H26O3 — CID 141244570

IUPAC1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(C(C(=O)C(c2cccc(OC)c2)C2CC2)C2CC2)c1
InChIInChI=1S/C23H26O3/c1-25-19-7-3-5-17(13-19)21(15-9-10-15)23(24)22(16-11-12-16)18-6-4-8-20(14-18)26-2/h3-8,13-16,21-22H,9-12H2,1-2H3
InChIKeyHOOIOHMOVIKCHW-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.96
Rot. Bonds8

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

1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one (PubChem CID 141244570) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
PubChem CID141244570
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(C(C(=O)C(c2cccc(OC)c2)C2CC2)C2CC2)c1
InChIInChI=1S/C23H26O3/c1-25-19-7-3-5-17(13-19)21(15-9-10-15)23(24)22(16-11-12-16)18-6-4-8-20(14-18)26-2/h3-8,13-16,21-22H,9-12H2,1-2H3
InChIKeyHOOIOHMOVIKCHW-UHFFFAOYSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095
1-cyclopropyl-1-[3-(3-methoxyphenyl)phenyl]propan-2-one;ethane;ethanimidamide
CID 145460869
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate
CID 134466095
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304184
(1S,5S)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304186
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
[(3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232508
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one (CID 141244570) is 1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one is COc1cccc(C(C(=O)C(c2cccc(OC)c2)C2CC2)C2CC2)c1.
What is the InChIKey of 1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one?
The InChIKey is HOOIOHMOVIKCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-25-19-7-3-5-17(13-19)21(15-9-10-15)23(24)22(16-11-12-16)18-6-4-8-20(14-18)26-2/h3-8,13-16,21-22H,9-12H2,1-2H3.
What are the key properties of 1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one?
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 141244570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).