(2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate

C15H10ClFO4 — CID 39199800

IUPAC(2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate
SMILESCOc1cccc(C=O)c1OC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H10ClFO4/c1-20-12-7-2-4-9(8-18)14(12)21-15(19)13-10(16)5-3-6-11(13)17/h2-8H,1H3
InChIKeyGAXDFOYIABLGJI-UHFFFAOYSA-N
MW308.69 g/mol
LogP3.52
Rot. Bonds4

About (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate

(2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate (PubChem CID 39199800) has the molecular formula C15H10ClFO4 and a molecular weight of 308.69 g/mol. Its IUPAC name is (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name(2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate
PubChem CID39199800
Molecular FormulaC15H10ClFO4
Molecular Weight308.69 g/mol
Exact Mass308.03
IUPAC Name(2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate
SMILESCOc1cccc(C=O)c1OC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H10ClFO4/c1-20-12-7-2-4-9(8-18)14(12)21-15(19)13-10(16)5-3-6-11(13)17/h2-8H,1H3
InChIKeyGAXDFOYIABLGJI-UHFFFAOYSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-formyl-6-methoxyphenyl) 3-fluorobenzoate
CID 39199689
(2-formyl-6-methoxyphenyl) 4-chloro-2-nitrobenzoate
CID 802015
(1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate
CID 39199802
(2-formyl-6-methoxyphenyl) 3-bromo-4-methoxybenzoate
CID 4924691
(2-iodo-3-methoxyphenyl) 2-fluoro-6-methoxybenzoate
CID 14629513
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
(2-formyl-6-methoxyphenyl) 4-nitrobenzoate
CID 804045
methyl 2-formyl-6-methoxybenzoate
CID 12730360
propyl 2-chloro-6-fluorobenzoate
CID 43389524
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]-2-methoxyphenyl] 2-chloro-6-fluorobenzoate
CID 39114418
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357

Frequently Asked Questions

What is the IUPAC name of (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate?
The IUPAC name of (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate (CID 39199800) is (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate.
What is the SMILES notation for (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate?
The canonical SMILES for (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate is COc1cccc(C=O)c1OC(=O)c1c(F)cccc1Cl.
What is the InChIKey of (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate?
The InChIKey is GAXDFOYIABLGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO4/c1-20-12-7-2-4-9(8-18)14(12)21-15(19)13-10(16)5-3-6-11(13)17/h2-8H,1H3.
What are the key properties of (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate?
(2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate has a molecular weight of 308.69 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 39199800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).