methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate

C14H9Cl3O2 — CID 75488397

IUPACmethyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
SMILESCOC(=O)c1cc(Cl)cc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H9Cl3O2/c1-19-14(18)9-4-8(5-11(16)6-9)12-7-10(15)2-3-13(12)17/h2-7H,1H3
InChIKeyANAASNHVOPTNKF-UHFFFAOYSA-N
MW315.58 g/mol
LogP5.10
Rot. Bonds2

About methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate

methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate (PubChem CID 75488397) has the molecular formula C14H9Cl3O2 and a molecular weight of 315.58 g/mol. Its IUPAC name is methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
PubChem CID75488397
Molecular FormulaC14H9Cl3O2
Molecular Weight315.58 g/mol
Exact Mass313.97
IUPAC Namemethyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
SMILESCOC(=O)c1cc(Cl)cc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H9Cl3O2/c1-19-14(18)9-4-8(5-11(16)6-9)12-7-10(15)2-3-13(12)17/h2-7H,1H3
InChIKeyANAASNHVOPTNKF-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.58
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(2,5-dichlorophenyl)-2,6-difluorobenzoate
CID 119013644
methyl 3-chloro-5-(4-methoxycarbonylphenyl)benzoate
CID 75488137
methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate
CID 146243627
4-(2-chloro-5-methoxycarbonylphenyl)benzoic acid
CID 53218456
methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate
CID 75488427
methyl 3-acetyl-5-chlorobenzoate
CID 69166843
1-[3-(2,5-dichlorophenyl)phenyl]ethanone
CID 39232724
methyl 6-chloro-3-(2,5-dichlorophenyl)pyridine-2-carboxylate
CID 133088306
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 3-tert-butyl-5-chlorobenzoate
CID 24729628
methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
CID 133090667

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate?
The IUPAC name of methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate (CID 75488397) is methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate.
What is the SMILES notation for methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate?
The canonical SMILES for methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate is COC(=O)c1cc(Cl)cc(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate?
The InChIKey is ANAASNHVOPTNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O2/c1-19-14(18)9-4-8(5-11(16)6-9)12-7-10(15)2-3-13(12)17/h2-7H,1H3.
What are the key properties of methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate?
methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate has a molecular weight of 315.58 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate is sourced from PubChem (CID 75488397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).