2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid

C10H12O4 — CID 117286015

IUPAC2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid
SMILESCCc1cc(O)cc(C(O)C(=O)O)c1
InChIInChI=1S/C10H12O4/c1-2-6-3-7(5-8(11)4-6)9(12)10(13)14/h3-5,9,11-12H,2H2,1H3,(H,13,14)
InChIKeyHSIOQZDSZFEJSU-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.07
Rot. Bonds3

About 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid

2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 117286015) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid
PubChem CID117286015
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid
SMILESCCc1cc(O)cc(C(O)C(=O)O)c1
InChIInChI=1S/C10H12O4/c1-2-6-3-7(5-8(11)4-6)9(12)10(13)14/h3-5,9,11-12H,2H2,1H3,(H,13,14)
InChIKeyHSIOQZDSZFEJSU-UHFFFAOYSA-N
XLogP1.07
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
CID 117305915
2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid
CID 23345991
2-hydroxy-2-[3-hydroxy-5-(3-oxopropyl)phenyl]acetic acid
CID 134657253
2-[3-(3-chloropropanoyl)-5-ethylphenyl]-2-hydroxyacetic acid
CID 134655933
2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 72775330
2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid
CID 117298569
2-(4-cyanoanilino)-2-(3-ethyl-5-hydroxyphenyl)acetic acid
CID 22039520
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044
CID 70480259
CID 70480259
2-hydroxy-2-(3,4,5-trihydroxyphenyl)acetic acid
CID 45092881
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958
2-(3-hydroxy-5-pentylphenyl)propanoic acid
CID 66645368

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid (CID 117286015) is 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid is CCc1cc(O)cc(C(O)C(=O)O)c1.
What is the InChIKey of 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is HSIOQZDSZFEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-6-3-7(5-8(11)4-6)9(12)10(13)14/h3-5,9,11-12H,2H2,1H3,(H,13,14).
What are the key properties of 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid?
2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid has a molecular weight of 196.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117286015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).