2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid

C10H12O5 — CID 67418019

IUPAC2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESCCOc1cccc(C(O)C(=O)O)c1O
InChIInChI=1S/C10H12O5/c1-2-15-7-5-3-4-6(8(7)11)9(12)10(13)14/h3-5,9,11-12H,2H2,1H3,(H,13,14)
InChIKeyNIIZBVLLTZEREW-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.91
Rot. Bonds4

About 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid

2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 67418019) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
PubChem CID67418019
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESCCOc1cccc(C(O)C(=O)O)c1O
InChIInChI=1S/C10H12O5/c1-2-15-7-5-3-4-6(8(7)11)9(12)10(13)14/h3-5,9,11-12H,2H2,1H3,(H,13,14)
InChIKeyNIIZBVLLTZEREW-UHFFFAOYSA-N
XLogP0.91
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-6-[(1S)-1-hydroxyethyl]phenol
CID 130740621
2-ethoxy-6-[(1R)-1-hydroxyethyl]phenol
CID 130649136
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
CID 171216004
2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
CID 62963313
2-[[cyano-(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
CID 84816458
2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride
CID 171235629
2-ethoxy-6-[(Z)-hex-4-en-2-yl]phenol
CID 83930787
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid (CID 67418019) is 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid is CCOc1cccc(C(O)C(=O)O)c1O.
What is the InChIKey of 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is NIIZBVLLTZEREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-2-15-7-5-3-4-6(8(7)11)9(12)10(13)14/h3-5,9,11-12H,2H2,1H3,(H,13,14).
What are the key properties of 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid?
2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid has a molecular weight of 212.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 67418019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).