2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate

C8H10O5 — CID 143701810

IUPAC2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate
SMILESO.O=C(O)c1cc(CO)ccc1O
InChIInChI=1S/C8H8O4.H2O/c9-4-5-1-2-7(10)6(3-5)8(11)12;/h1-3,9-10H,4H2,(H,11,12);1H2
InChIKeyGHVTXOZSJCDBMH-UHFFFAOYSA-N
MW186.16 g/mol
LogP-0.24
Rot. Bonds2

About 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate

2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate (PubChem CID 143701810) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate.

Molecular Properties

Compound Name2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate
PubChem CID143701810
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate
SMILESO.O=C(O)c1cc(CO)ccc1O
InChIInChI=1S/C8H8O4.H2O/c9-4-5-1-2-7(10)6(3-5)8(11)12;/h1-3,9-10H,4H2,(H,11,12);1H2
InChIKeyGHVTXOZSJCDBMH-UHFFFAOYSA-N
XLogP-0.24
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate?
The IUPAC name of 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate (CID 143701810) is 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate.
What is the SMILES notation for 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate?
The canonical SMILES for 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate is O.O=C(O)c1cc(CO)ccc1O.
What is the InChIKey of 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate?
The InChIKey is GHVTXOZSJCDBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4.H2O/c9-4-5-1-2-7(10)6(3-5)8(11)12;/h1-3,9-10H,4H2,(H,11,12);1H2.
What are the key properties of 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate?
2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate has a molecular weight of 186.16 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate is sourced from PubChem (CID 143701810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).