methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate

C15H11Cl2FO3 — CID 91682725

IUPACmethyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO3/c1-20-15(19)10-6-12(16)14(13(17)7-10)21-8-9-3-2-4-11(18)5-9/h2-7H,8H2,1H3
InChIKeyWGKFMTHYWHAEQG-UHFFFAOYSA-N
MW329.15 g/mol
LogP4.50
Rot. Bonds4

About methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate

methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate (PubChem CID 91682725) has the molecular formula C15H11Cl2FO3 and a molecular weight of 329.15 g/mol. Its IUPAC name is methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
PubChem CID91682725
Molecular FormulaC15H11Cl2FO3
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Namemethyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO3/c1-20-15(19)10-6-12(16)14(13(17)7-10)21-8-9-3-2-4-11(18)5-9/h2-7H,8H2,1H3
InChIKeyWGKFMTHYWHAEQG-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682236
(NE)-N-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91682760
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
methyl 4-chloro-6-fluoronaphthalene-2-carboxylate
CID 90487890
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
N-[(E)-[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126322599
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
N-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 43515758
3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 882398
N-[(E)-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126261968
N-[(E)-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126315930

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate?
The IUPAC name of methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate (CID 91682725) is methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate?
The canonical SMILES for methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate is COC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate?
The InChIKey is WGKFMTHYWHAEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO3/c1-20-15(19)10-6-12(16)14(13(17)7-10)21-8-9-3-2-4-11(18)5-9/h2-7H,8H2,1H3.
What are the key properties of methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate?
methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate has a molecular weight of 329.15 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 91682725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).