1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone

C14H18O4 — CID 43150256

IUPAC1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone
SMILESCOc1cc(OC)c(C2CC2C(C)=O)cc1OC
InChIInChI=1S/C14H18O4/c1-8(15)9-5-10(9)11-6-13(17-3)14(18-4)7-12(11)16-2/h6-7,9-10H,5H2,1-4H3
InChIKeyRGYLJTALBCSSGJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.40
Rot. Bonds5

About 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone

1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone (PubChem CID 43150256) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone
PubChem CID43150256
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone
SMILESCOc1cc(OC)c(C2CC2C(C)=O)cc1OC
InChIInChI=1S/C14H18O4/c1-8(15)9-5-10(9)11-6-13(17-3)14(18-4)7-12(11)16-2/h6-7,9-10H,5H2,1-4H3
InChIKeyRGYLJTALBCSSGJ-UHFFFAOYSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
CID 43141135
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone
CID 113291875
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopropyl]ethanone
CID 43150284
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
4-(2-methoxy-4,5-dimethylphenyl)-6-methylpiperidine-3-carboxylic acid
CID 82626536
3-(2,4,5-trimethoxyphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 90790124
5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340
1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
CID 43828941
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone
CID 43364567
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone (CID 43150256) is 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone is COc1cc(OC)c(C2CC2C(C)=O)cc1OC.
What is the InChIKey of 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone?
The InChIKey is RGYLJTALBCSSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-8(15)9-5-10(9)11-6-13(17-3)14(18-4)7-12(11)16-2/h6-7,9-10H,5H2,1-4H3.
What are the key properties of 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone?
1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone has a molecular weight of 250.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 43150256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).