2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one

C18H26O3 — CID 83144881

IUPAC2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)C2CC2)cc1OCCC
InChIInChI=1S/C18H26O3/c1-4-10-20-16-9-8-15(12-17(16)21-11-5-2)18(19)13(3)14-6-7-14/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeyPJIRXIGTGRLXKN-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.49
Rot. Bonds9

About 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one

2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one (PubChem CID 83144881) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one
PubChem CID83144881
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)C2CC2)cc1OCCC
InChIInChI=1S/C18H26O3/c1-4-10-20-16-9-8-15(12-17(16)21-11-5-2)18(19)13(3)14-6-7-14/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeyPJIRXIGTGRLXKN-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one
CID 83154555
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
2-bromo-1-(3,4-dipropoxyphenyl)butan-1-one
CID 63385990
cyclohexyl-(3,4-dipropoxyphenyl)methanone
CID 82550226
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
3-amino-1-(3,4-dipropoxyphenyl)butan-1-one
CID 81462222
2-chloro-1-(3-propan-2-yl-4-propoxyphenyl)propan-1-one
CID 82264024
4-(1-chloro-2-cyclopropylpropyl)-1,2-dipropoxybenzene
CID 83150104
3-[(3,4-dipropoxybenzoyl)amino]butanoic acid
CID 119220905
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
1-(3,4-dipropoxyphenyl)-3-hydroxyprop-2-en-1-one
CID 28896001
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one (CID 83144881) is 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one is CCCOc1ccc(C(=O)C(C)C2CC2)cc1OCCC.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one?
The InChIKey is PJIRXIGTGRLXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-10-20-16-9-8-15(12-17(16)21-11-5-2)18(19)13(3)14-6-7-14/h8-9,12-14H,4-7,10-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one?
2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one has a molecular weight of 290.40 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one is sourced from PubChem (CID 83144881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).