4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid

C16H14ClFO4 — CID 22685655

IUPAC4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFO4/c1-2-21-15-8-10(16(19)20)6-7-14(15)22-9-11-12(17)4-3-5-13(11)18/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyRIEPPTQAIIDKKU-UHFFFAOYSA-N
MW324.74 g/mol
LogP4.16
Rot. Bonds6

About 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid

4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid (PubChem CID 22685655) has the molecular formula C16H14ClFO4 and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
PubChem CID22685655
Molecular FormulaC16H14ClFO4
Molecular Weight324.74 g/mol
Exact Mass324.06
IUPAC Name4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFO4/c1-2-21-15-8-10(16(19)20)6-7-14(15)22-9-11-12(17)4-3-5-13(11)18/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyRIEPPTQAIIDKKU-UHFFFAOYSA-N
XLogP4.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257
4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]benzoic acid
CID 66540688
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
4-[[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 4719760
(2-chloro-6-fluorophenyl)methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359071
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673935
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606
(Z)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enamide
CID 75460214
(2S,4R)-2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1273842
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677
2-[[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-3-methylbutanoic acid
CID 66528680
(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylpiperazin-1-yl)methanimine
CID 42995005

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid (CID 22685655) is 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid is CCOc1cc(C(=O)O)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid?
The InChIKey is RIEPPTQAIIDKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO4/c1-2-21-15-8-10(16(19)20)6-7-14(15)22-9-11-12(17)4-3-5-13(11)18/h3-8H,2,9H2,1H3,(H,19,20).
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid?
4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid has a molecular weight of 324.74 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid is sourced from PubChem (CID 22685655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).