methyl 4-(3,4-dichlorophenyl)benzoate

C14H10Cl2O2 — CID 18526057

IUPACmethyl 4-(3,4-dichlorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O2/c1-18-14(17)10-4-2-9(3-5-10)11-6-7-12(15)13(16)8-11/h2-8H,1H3
InChIKeyPQHQXJDNGVLETN-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.45
Rot. Bonds2

About methyl 4-(3,4-dichlorophenyl)benzoate

methyl 4-(3,4-dichlorophenyl)benzoate (PubChem CID 18526057) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is methyl 4-(3,4-dichlorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3,4-dichlorophenyl)benzoate
PubChem CID18526057
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Namemethyl 4-(3,4-dichlorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O2/c1-18-14(17)10-4-2-9(3-5-10)11-6-7-12(15)13(16)8-11/h2-8H,1H3
InChIKeyPQHQXJDNGVLETN-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 3-chloro-5-(4-methoxycarbonylphenyl)benzoate
CID 75488137
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 2-phenylazulene-6-carboxylate
CID 23257786
4-(3,4-dichlorophenyl)benzamide
CID 141087497
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 5-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133092802
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
methyl 4-[[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 126050772
methyl 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]benzoate
CID 58127683

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dichlorophenyl)benzoate?
The IUPAC name of methyl 4-(3,4-dichlorophenyl)benzoate (CID 18526057) is methyl 4-(3,4-dichlorophenyl)benzoate.
What is the SMILES notation for methyl 4-(3,4-dichlorophenyl)benzoate?
The canonical SMILES for methyl 4-(3,4-dichlorophenyl)benzoate is COC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of methyl 4-(3,4-dichlorophenyl)benzoate?
The InChIKey is PQHQXJDNGVLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-18-14(17)10-4-2-9(3-5-10)11-6-7-12(15)13(16)8-11/h2-8H,1H3.
What are the key properties of methyl 4-(3,4-dichlorophenyl)benzoate?
methyl 4-(3,4-dichlorophenyl)benzoate has a molecular weight of 281.14 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dichlorophenyl)benzoate is sourced from PubChem (CID 18526057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).