(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate

C21H17ClO4 — CID 2392110

IUPAC(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
SMILESCOc1ccccc1OC(=O)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H17ClO4/c1-24-19-12-6-7-13-20(19)26-21(23)16-9-3-5-11-18(16)25-14-15-8-2-4-10-17(15)22/h2-13H,14H2,1H3
InChIKeyMNDTWYSAGXPJKM-UHFFFAOYSA-N
MW368.82 g/mol
LogP5.15
Rot. Bonds6

About (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate

(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate (PubChem CID 2392110) has the molecular formula C21H17ClO4 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
PubChem CID2392110
Molecular FormulaC21H17ClO4
Molecular Weight368.82 g/mol
Exact Mass368.08
IUPAC Name(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
SMILESCOc1ccccc1OC(=O)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H17ClO4/c1-24-19-12-6-7-13-20(19)26-21(23)16-9-3-5-11-18(16)25-14-15-8-2-4-10-17(15)22/h2-13H,14H2,1H3
InChIKeyMNDTWYSAGXPJKM-UHFFFAOYSA-N
XLogP5.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2457678
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 43380062
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
(2-methoxyphenyl) 3-ethyl-2-methylbenzoate
CID 118039827
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435
methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
CID 46735306
3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 27568145

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate?
The IUPAC name of (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate (CID 2392110) is (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate?
The canonical SMILES for (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate is COc1ccccc1OC(=O)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate?
The InChIKey is MNDTWYSAGXPJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO4/c1-24-19-12-6-7-13-20(19)26-21(23)16-9-3-5-11-18(16)25-14-15-8-2-4-10-17(15)22/h2-13H,14H2,1H3.
What are the key properties of (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate?
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate has a molecular weight of 368.82 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 2392110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).