4-(2-ethoxy-6-hydroxyphenyl)butanoic acid

C12H16O4 — CID 117321755

IUPAC4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
SMILESCCOc1cccc(O)c1CCCC(=O)O
InChIInChI=1S/C12H16O4/c1-2-16-11-7-4-6-10(13)9(11)5-3-8-12(14)15/h4,6-7,13H,2-3,5,8H2,1H3,(H,14,15)
InChIKeySTPQRKZHRWVPDX-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.20
Rot. Bonds6

About 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid

4-(2-ethoxy-6-hydroxyphenyl)butanoic acid (PubChem CID 117321755) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
PubChem CID117321755
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
SMILESCCOc1cccc(O)c1CCCC(=O)O
InChIInChI=1S/C12H16O4/c1-2-16-11-7-4-6-10(13)9(11)5-3-8-12(14)15/h4,6-7,13H,2-3,5,8H2,1H3,(H,14,15)
InChIKeySTPQRKZHRWVPDX-UHFFFAOYSA-N
XLogP2.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-2-propylphenoxy)butanoic acid
CID 67632631
3-ethoxy-2-pentylphenol;toluene
CID 174953910
3-(2-amino-6-ethoxyphenyl)propanoic acid
CID 84676808
3-(2-ethoxy-6-ethoxycarbonylphenyl)propanoic acid
CID 134644738
hexanoic acid;2-hexylbenzene-1,3-diol
CID 175405171
4-(4-ethoxynaphthalen-1-yl)butanoic acid
CID 82263167
10-[2-(9-carboxynonyl)-3-hexoxyphenyl]decanoic acid
CID 151006342
4-amino-4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
CID 117350552
3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
2-(aminomethyl)-7-(2,6-diethoxyphenyl)-4-methylheptanoic acid
CID 69268091
(3-hydroxy-2-pentylphenyl) acetate
CID 69325371
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid?
The IUPAC name of 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid (CID 117321755) is 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid?
The canonical SMILES for 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid is CCOc1cccc(O)c1CCCC(=O)O.
What is the InChIKey of 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid?
The InChIKey is STPQRKZHRWVPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-16-11-7-4-6-10(13)9(11)5-3-8-12(14)15/h4,6-7,13H,2-3,5,8H2,1H3,(H,14,15).
What are the key properties of 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid?
4-(2-ethoxy-6-hydroxyphenyl)butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-6-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 117321755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).