4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one

C15H20O2 — CID 175624842

IUPAC4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one
SMILESCOc1ccc(CCCC(=O)C2(C)CC2)cc1
InChIInChI=1S/C15H20O2/c1-15(10-11-15)14(16)5-3-4-12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyYYXNCBDXRVFHQD-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds6

About 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one

4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one (PubChem CID 175624842) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one
PubChem CID175624842
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one
SMILESCOc1ccc(CCCC(=O)C2(C)CC2)cc1
InChIInChI=1S/C15H20O2/c1-15(10-11-15)14(16)5-3-4-12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyYYXNCBDXRVFHQD-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-1-(1-propan-2-ylcyclobutyl)butan-1-one
CID 143822953
5-(4-methoxyphenyl)pentanoyl chloride
CID 21497235
(3R)-1-[4-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686375
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide
CID 90297722
5-(4-methoxyphenyl)pentanamide
CID 134389506
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one
CID 116750532
3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 116572753
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
1-(1-ethoxycyclopentyl)-3-(4-methoxyphenyl)propan-1-one
CID 116747836

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one?
The IUPAC name of 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one (CID 175624842) is 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one is COc1ccc(CCCC(=O)C2(C)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one?
The InChIKey is YYXNCBDXRVFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(10-11-15)14(16)5-3-4-12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one?
4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one is sourced from PubChem (CID 175624842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).