2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid

C15H21FO3 — CID 112519778

IUPAC2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid
SMILESCCOc1ccc(C(C)(CC(C)C)C(=O)O)cc1F
InChIInChI=1S/C15H21FO3/c1-5-19-13-7-6-11(8-12(13)16)15(4,14(17)18)9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,17,18)
InChIKeyKKPRWWWUXSZXCU-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid

2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid (PubChem CID 112519778) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid
PubChem CID112519778
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid
SMILESCCOc1ccc(C(C)(CC(C)C)C(=O)O)cc1F
InChIInChI=1S/C15H21FO3/c1-5-19-13-7-6-11(8-12(13)16)15(4,14(17)18)9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,17,18)
InChIKeyKKPRWWWUXSZXCU-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid
CID 112519730
3-amino-3-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 82292934
[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
CID 115171411
4-(1,1-difluoropropyl)-1-ethoxy-2-fluorobenzene
CID 116841263
3-(4-ethoxy-3-fluorophenyl)-2,2-dimethyl-3-(methylamino)propanoic acid
CID 116953224
2-(3-fluoro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 82292742
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127
3-(4-ethoxy-3-fluorophenyl)sulfanyl-2-methylpropanoic acid
CID 116852954
2-(4-ethylsulfanylphenyl)-2,4-dimethylpentanoic acid
CID 112519746
2-amino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 112518372
2-[(4-ethoxy-3-fluoroanilino)methyl]butanoic acid
CID 115249706

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid (CID 112519778) is 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid is CCOc1ccc(C(C)(CC(C)C)C(=O)O)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid?
The InChIKey is KKPRWWWUXSZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-5-19-13-7-6-11(8-12(13)16)15(4,14(17)18)9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid?
2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid has a molecular weight of 268.33 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 112519778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).