2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid

C11H12O5 — CID 21261764

IUPAC2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid
SMILESCCOC(=O)c1ccc(CC(=O)O)cc1O
InChIInChI=1S/C11H12O5/c1-2-16-11(15)8-4-3-7(5-9(8)12)6-10(13)14/h3-5,12H,2,6H2,1H3,(H,13,14)
InChIKeyILRWWRMCQDIMIP-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.20
Rot. Bonds4

About 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid

2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid (PubChem CID 21261764) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid
PubChem CID21261764
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid
SMILESCCOC(=O)c1ccc(CC(=O)O)cc1O
InChIInChI=1S/C11H12O5/c1-2-16-11(15)8-4-3-7(5-9(8)12)6-10(13)14/h3-5,12H,2,6H2,1H3,(H,13,14)
InChIKeyILRWWRMCQDIMIP-UHFFFAOYSA-N
XLogP1.20
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxycarbonyl-4-hydrazinylphenyl)acetic acid
CID 134640848
2-[4-(3-bromopropanoyl)-3-ethoxycarbonylphenyl]acetic acid
CID 134640830
5-[4-(carboxymethyl)phenyl]sulfanyl-2-ethoxycarbonylbenzoic acid
CID 91879258
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
2-(2-ethoxycarbonyl-5-ethylbenzoyl)oxyacetic acid
CID 101299980
2-(2-ethoxycarbonyl-4-ethylbenzoyl)oxyacetic acid
CID 101299981
ethyl 4-ethylsulfanyl-2-hydroxybenzoate
CID 91876432
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
2-[4-(4-ethoxycarbonyl-3-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91879262
2-(3,4-dihydroxyphenyl)acetic acid
CID 547
4-ethoxycarbonyl-2-hydroxybenzoic acid
CID 51063880
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid (CID 21261764) is 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid is CCOC(=O)c1ccc(CC(=O)O)cc1O.
What is the InChIKey of 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid?
The InChIKey is ILRWWRMCQDIMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-2-16-11(15)8-4-3-7(5-9(8)12)6-10(13)14/h3-5,12H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid?
2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid has a molecular weight of 224.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid is sourced from PubChem (CID 21261764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).