(2,4,5-trichlorophenyl) cyclopropanecarboxylate

C10H7Cl3O2 — CID 91694706

IUPAC(2,4,5-trichlorophenyl) cyclopropanecarboxylate
SMILESO=C(Oc1cc(Cl)c(Cl)cc1Cl)C1CC1
InChIInChI=1S/C10H7Cl3O2/c11-6-3-8(13)9(4-7(6)12)15-10(14)5-1-2-5/h3-5H,1-2H2
InChIKeyJTXKTAJEYVQEMR-UHFFFAOYSA-N
MW265.52 g/mol
LogP3.96
Rot. Bonds2

About (2,4,5-trichlorophenyl) cyclopropanecarboxylate

(2,4,5-trichlorophenyl) cyclopropanecarboxylate (PubChem CID 91694706) has the molecular formula C10H7Cl3O2 and a molecular weight of 265.52 g/mol. Its IUPAC name is (2,4,5-trichlorophenyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(2,4,5-trichlorophenyl) cyclopropanecarboxylate
PubChem CID91694706
Molecular FormulaC10H7Cl3O2
Molecular Weight265.52 g/mol
Exact Mass263.95
IUPAC Name(2,4,5-trichlorophenyl) cyclopropanecarboxylate
SMILESO=C(Oc1cc(Cl)c(Cl)cc1Cl)C1CC1
InChIInChI=1S/C10H7Cl3O2/c11-6-3-8(13)9(4-7(6)12)15-10(14)5-1-2-5/h3-5H,1-2H2
InChIKeyJTXKTAJEYVQEMR-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2,4,5-trichlorophenyl) cyclopropanecarboxylate 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

(2,4,6-trichlorophenyl) cyclobutanecarboxylate
CID 55335063
(2,4,6-trichlorophenyl) cyclopentanecarboxylate
CID 55335085
[2-(cyclopropanecarbonyloxy)-4,5-diformyloxyphenyl] cyclopropanecarboxylate
CID 91135350
(2,4,6-trichlorophenyl) 4-methylcyclohexane-1-carboxylate
CID 159654794
(2,4,5-trichlorophenyl) N-[(E)-2-[(2,4,5-trichlorophenoxy)carbonylamino]ethenyl]carbamate
CID 3033549
(2-hydroxyphenyl) cyclopropanecarboxylate
CID 91694694
(2,4-dichlorophenyl) 4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]cyclohexane-1-carboxylate
CID 98279242
(5-bromo-3-chloro-2-pyridinyl) cyclopropanecarboxylate
CID 151605885
(2-cyclopropyl-5-methylphenyl) cyclopropanecarboxylate
CID 175156246
bis[2-chloro-4-(2-prop-2-enoyloxyethyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 23529952
(2,4-dibromophenyl) cyclopropanecarboxylate
CID 836257
(4-chloro-2-methylphenyl) cyclobutanecarboxylate
CID 78768517

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trichlorophenyl) cyclopropanecarboxylate?
The IUPAC name of (2,4,5-trichlorophenyl) cyclopropanecarboxylate (CID 91694706) is (2,4,5-trichlorophenyl) cyclopropanecarboxylate.
What is the SMILES notation for (2,4,5-trichlorophenyl) cyclopropanecarboxylate?
The canonical SMILES for (2,4,5-trichlorophenyl) cyclopropanecarboxylate is O=C(Oc1cc(Cl)c(Cl)cc1Cl)C1CC1.
What is the InChIKey of (2,4,5-trichlorophenyl) cyclopropanecarboxylate?
The InChIKey is JTXKTAJEYVQEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3O2/c11-6-3-8(13)9(4-7(6)12)15-10(14)5-1-2-5/h3-5H,1-2H2.
What are the key properties of (2,4,5-trichlorophenyl) cyclopropanecarboxylate?
(2,4,5-trichlorophenyl) cyclopropanecarboxylate has a molecular weight of 265.52 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trichlorophenyl) cyclopropanecarboxylate is sourced from PubChem (CID 91694706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).