2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid

C11H14O5 — CID 44578581

IUPAC2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(CCO)c1CO
InChIInChI=1S/C11H14O5/c1-16-10-3-2-8(11(14)15)7(4-5-12)9(10)6-13/h2-3,12-13H,4-6H2,1H3,(H,14,15)
InChIKeyHEGWSFZSDYSBCC-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.42
Rot. Bonds5

About 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid

2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid (PubChem CID 44578581) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid
PubChem CID44578581
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(CCO)c1CO
InChIInChI=1S/C11H14O5/c1-16-10-3-2-8(11(14)15)7(4-5-12)9(10)6-13/h2-3,12-13H,4-6H2,1H3,(H,14,15)
InChIKeyHEGWSFZSDYSBCC-UHFFFAOYSA-N
XLogP0.42
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 19913521
4-methoxy-2,3-bis(oxiran-2-ylmethyl)benzoic acid
CID 174602362
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
3-cyano-2-ethyl-4-methoxybenzoic acid
CID 131530269
4-(4-hydroxybutoxycarbonyl)-2,3-bis(2-hydroxyethyl)benzoic acid
CID 20519540
2,3-bis(6-hydroxyhexyl)terephthalic acid
CID 18466289
2-(2-hydroxyethyl)-3-(2-prop-2-enoyloxyethyl)terephthalic acid
CID 140978667
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
CID 58297973
2-(chloromethyl)-3-cyano-4-methoxybenzoic acid
CID 131608616
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid?
The IUPAC name of 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid (CID 44578581) is 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid?
The canonical SMILES for 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(CCO)c1CO.
What is the InChIKey of 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid?
The InChIKey is HEGWSFZSDYSBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-16-10-3-2-8(11(14)15)7(4-5-12)9(10)6-13/h2-3,12-13H,4-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid?
2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid is sourced from PubChem (CID 44578581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).