2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid

C11H13FO4 — CID 154827727

IUPAC2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid
SMILESCOCCOc1ccc(CC(=O)O)cc1F
InChIInChI=1S/C11H13FO4/c1-15-4-5-16-10-3-2-8(6-9(10)12)7-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyBIFIXWRHCPAJBM-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.48
Rot. Bonds6

About 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid

2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid (PubChem CID 154827727) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid
PubChem CID154827727
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid
SMILESCOCCOc1ccc(CC(=O)O)cc1F
InChIInChI=1S/C11H13FO4/c1-15-4-5-16-10-3-2-8(6-9(10)12)7-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyBIFIXWRHCPAJBM-UHFFFAOYSA-N
XLogP1.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
CID 66907480
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-fluorophenyl]acetic acid
CID 14425686
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
2-bromo-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-phenylpropan-1-one
CID 167489622
3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64671122

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid (CID 154827727) is 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid is COCCOc1ccc(CC(=O)O)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid?
The InChIKey is BIFIXWRHCPAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-15-4-5-16-10-3-2-8(6-9(10)12)7-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid?
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid has a molecular weight of 228.22 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid is sourced from PubChem (CID 154827727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).