2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid

C18H19FO4 — CID 69110371

IUPAC2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2ccc(OCC)c(C(=O)O)c2)cc1F
InChIInChI=1S/C18H19FO4/c1-3-9-23-17-8-6-13(11-15(17)19)12-5-7-16(22-4-2)14(10-12)18(20)21/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyLMQWOWJREGNYOS-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.38
Rot. Bonds7

About 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid

2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid (PubChem CID 69110371) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
PubChem CID69110371
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2ccc(OCC)c(C(=O)O)c2)cc1F
InChIInChI=1S/C18H19FO4/c1-3-9-23-17-8-6-13(11-15(17)19)12-5-7-16(22-4-2)14(10-12)18(20)21/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyLMQWOWJREGNYOS-UHFFFAOYSA-N
XLogP4.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-fluorophenyl)-2-propoxybenzoic acid
CID 69110744
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
CID 71083072
4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 143190556
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid
CID 69114760
2-(4-decoxy-2,3-difluorophenyl)-4-(4-decoxy-3-fluorophenyl)benzoic acid
CID 67899323
4-(3-fluoro-4-heptoxyphenyl)benzoic acid
CID 54109245
4-(3-fluoro-4-hexoxyphenyl)benzoic acid
CID 54340941
5-(3-cyanophenyl)-2-propoxybenzoic acid
CID 69110749
5-iodo-2-propoxybenzoic acid
CID 10804556
2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
CID 21252414

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid?
The IUPAC name of 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid (CID 69110371) is 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid.
What is the SMILES notation for 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid?
The canonical SMILES for 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid is CCCOc1ccc(-c2ccc(OCC)c(C(=O)O)c2)cc1F.
What is the InChIKey of 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid?
The InChIKey is LMQWOWJREGNYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-3-9-23-17-8-6-13(11-15(17)19)12-5-7-16(22-4-2)14(10-12)18(20)21/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid?
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid has a molecular weight of 318.34 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid is sourced from PubChem (CID 69110371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).