(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate

C15H12ClFO3 — CID 2215684

IUPAC(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C15H12ClFO3/c1-19-13-4-2-3-10(7-13)15(18)20-9-11-5-6-12(17)8-14(11)16/h2-8H,9H2,1H3
InChIKeyRUXBWOFDNCSLMB-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.84
Rot. Bonds4

About (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate

(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate (PubChem CID 2215684) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate
PubChem CID2215684
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C15H12ClFO3/c1-19-13-4-2-3-10(7-13)15(18)20-9-11-5-6-12(17)8-14(11)16/h2-8H,9H2,1H3
InChIKeyRUXBWOFDNCSLMB-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate
CID 81395079
(2-chloro-4-fluorophenyl)methyl 3,5-diaminobenzoate
CID 61323117
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(2-chloro-4-fluorophenyl)methyl 3-amino-5-fluoro-4-methylbenzoate
CID 61315278
(2-chloro-4-fluorophenyl)methyl 3-methyl-4-nitrobenzoate
CID 29169259
(2-chloro-4-fluorophenyl)methyl 1-methylpyrrole-2-carboxylate
CID 55307502
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
CID 16869669
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2-(2-chloro-4-fluorophenyl)-1-(3-methoxyphenyl)ethanol
CID 62607563
(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate
CID 2214206
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate?
The IUPAC name of (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate (CID 2215684) is (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate.
What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate?
The canonical SMILES for (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate is COc1cccc(C(=O)OCc2ccc(F)cc2Cl)c1.
What is the InChIKey of (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate?
The InChIKey is RUXBWOFDNCSLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-13-4-2-3-10(7-13)15(18)20-9-11-5-6-12(17)8-14(11)16/h2-8H,9H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate?
(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate has a molecular weight of 294.71 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate is sourced from PubChem (CID 2215684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).