(4-chlorophenyl) 4-methoxybenzoate

C14H11ClO3 — CID 532395

IUPAC(4-chlorophenyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO3/c1-17-12-6-2-10(3-7-12)14(16)18-13-8-4-11(15)5-9-13/h2-9H,1H3
InChIKeyNUUGTSDUQSAQIU-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.57
Rot. Bonds3

About (4-chlorophenyl) 4-methoxybenzoate

(4-chlorophenyl) 4-methoxybenzoate (PubChem CID 532395) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is (4-chlorophenyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(4-chlorophenyl) 4-methoxybenzoate
PubChem CID532395
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name(4-chlorophenyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClO3/c1-17-12-6-2-10(3-7-12)14(16)18-13-8-4-11(15)5-9-13/h2-9H,1H3
InChIKeyNUUGTSDUQSAQIU-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
(4-tert-butylphenyl) 4-chlorobenzoate
CID 587391
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-[1,2,2-tris[4-(4-methoxybenzoyl)oxyphenyl]ethyl]phenyl] 4-methoxybenzoate
CID 90143826
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 4-methoxybenzoate?
The IUPAC name of (4-chlorophenyl) 4-methoxybenzoate (CID 532395) is (4-chlorophenyl) 4-methoxybenzoate.
What is the SMILES notation for (4-chlorophenyl) 4-methoxybenzoate?
The canonical SMILES for (4-chlorophenyl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl) 4-methoxybenzoate?
The InChIKey is NUUGTSDUQSAQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-17-12-6-2-10(3-7-12)14(16)18-13-8-4-11(15)5-9-13/h2-9H,1H3.
What are the key properties of (4-chlorophenyl) 4-methoxybenzoate?
(4-chlorophenyl) 4-methoxybenzoate has a molecular weight of 262.69 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 4-methoxybenzoate is sourced from PubChem (CID 532395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).