(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate

C15H12ClFO2 — CID 113400401

IUPAC(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
SMILESCc1cc(F)ccc1C(=O)OCc1ccccc1Cl
InChIInChI=1S/C15H12ClFO2/c1-10-8-12(17)6-7-13(10)15(18)19-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3
InChIKeyYBZOCGHQVWDWQA-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.14
Rot. Bonds3

About (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate

(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate (PubChem CID 113400401) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
PubChem CID113400401
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
SMILESCc1cc(F)ccc1C(=O)OCc1ccccc1Cl
InChIInChI=1S/C15H12ClFO2/c1-10-8-12(17)6-7-13(10)15(18)19-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3
InChIKeyYBZOCGHQVWDWQA-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
CID 114348586
(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate
CID 61277657
(4-fluoro-2-methylphenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706195
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
(3-chloro-2-fluorophenyl)methyl 2,4-diaminobenzoate
CID 102858189
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771
(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115547754
(2-chlorophenyl)methyl 4-methyl-3-nitrobenzoate
CID 2628635

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate?
The IUPAC name of (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate (CID 113400401) is (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate?
The canonical SMILES for (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate is Cc1cc(F)ccc1C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate?
The InChIKey is YBZOCGHQVWDWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-10-8-12(17)6-7-13(10)15(18)19-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3.
What are the key properties of (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate?
(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate has a molecular weight of 278.71 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate is sourced from PubChem (CID 113400401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).