1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone

C18H15F3O2 — CID 172651120

IUPAC1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CC2)c(-c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C18H15F3O2/c1-10(22)12-4-5-17(23-9-11-2-3-11)14(6-12)13-7-15(19)18(21)16(20)8-13/h4-8,11H,2-3,9H2,1H3
InChIKeyONJZQHGWWYZDLC-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.76
Rot. Bonds5

About 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone

1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone (PubChem CID 172651120) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone
PubChem CID172651120
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CC2)c(-c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C18H15F3O2/c1-10(22)12-4-5-17(23-9-11-2-3-11)14(6-12)13-7-15(19)18(21)16(20)8-13/h4-8,11H,2-3,9H2,1H3
InChIKeyONJZQHGWWYZDLC-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methoxyethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651121
1-[3-bromo-4-(cyclopentylmethoxy)phenyl]ethanone
CID 66322201
1-[4-chloro-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651113
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073
1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one
CID 161120964
(3,4,5-trifluorophenyl) 4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]benzoate
CID 54127263
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
CID 106202171
1-[3-(4-chlorophenyl)-4-(cyclopropylmethoxy)phenyl]cyclobutane-1-carboxylic acid
CID 66940685
3-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-4-(cyclobutylmethoxy)-N-methylbenzenesulfonamide
CID 69292816
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473
3-bromo-4-(cyclopropylmethoxy)benzamide
CID 138985778

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone (CID 172651120) is 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone is CC(=O)c1ccc(OCC2CC2)c(-c2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone?
The InChIKey is ONJZQHGWWYZDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O2/c1-10(22)12-4-5-17(23-9-11-2-3-11)14(6-12)13-7-15(19)18(21)16(20)8-13/h4-8,11H,2-3,9H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone?
1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone has a molecular weight of 320.31 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]ethanone is sourced from PubChem (CID 172651120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).