(2,4-dichlorophenyl)methyl cyclobutanecarboxylate

C12H12Cl2O2 — CID 2374200

IUPAC(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
SMILESO=C(OCc1ccc(Cl)cc1Cl)C1CCC1
InChIInChI=1S/C12H12Cl2O2/c13-10-5-4-9(11(14)6-10)7-16-12(15)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyYTRIAFPBUIVJKB-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.84
Rot. Bonds3

About (2,4-dichlorophenyl)methyl cyclobutanecarboxylate

(2,4-dichlorophenyl)methyl cyclobutanecarboxylate (PubChem CID 2374200) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl cyclobutanecarboxylate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
PubChem CID2374200
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
SMILESO=C(OCc1ccc(Cl)cc1Cl)C1CCC1
InChIInChI=1S/C12H12Cl2O2/c13-10-5-4-9(11(14)6-10)7-16-12(15)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyYTRIAFPBUIVJKB-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2376302
[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate
CID 3130760
O-[(2,4-dichlorophenyl)methyl] N-cyclohexylcarbamothioate
CID 27101870
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
(4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate
CID 151248116
(2,4-dichlorophenyl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792376
(2,4-dichlorophenyl)methyl adamantane-1-carboxylate
CID 4285258
(2-chlorophenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525379
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
(2,4,6-trichlorophenyl) cyclobutanecarboxylate
CID 55335063
[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020275

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl cyclobutanecarboxylate?
The IUPAC name of (2,4-dichlorophenyl)methyl cyclobutanecarboxylate (CID 2374200) is (2,4-dichlorophenyl)methyl cyclobutanecarboxylate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl cyclobutanecarboxylate?
The canonical SMILES for (2,4-dichlorophenyl)methyl cyclobutanecarboxylate is O=C(OCc1ccc(Cl)cc1Cl)C1CCC1.
What is the InChIKey of (2,4-dichlorophenyl)methyl cyclobutanecarboxylate?
The InChIKey is YTRIAFPBUIVJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c13-10-5-4-9(11(14)6-10)7-16-12(15)8-2-1-3-8/h4-6,8H,1-3,7H2.
What are the key properties of (2,4-dichlorophenyl)methyl cyclobutanecarboxylate?
(2,4-dichlorophenyl)methyl cyclobutanecarboxylate has a molecular weight of 259.13 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl cyclobutanecarboxylate is sourced from PubChem (CID 2374200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).