5-(hydroxymethyl)benzene-1,3-diol;propane

C10H16O3 — CID 171649400

IUPAC5-(hydroxymethyl)benzene-1,3-diol;propane
SMILESCCC.OCc1cc(O)cc(O)c1
InChIInChI=1S/C7H8O3.C3H8/c8-4-5-1-6(9)3-7(10)2-5;1-3-2/h1-3,8-10H,4H2;3H2,1-2H3
InChIKeyHGBWOVCYGBVEQG-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.01
Rot. Bonds1

About 5-(hydroxymethyl)benzene-1,3-diol;propane

5-(hydroxymethyl)benzene-1,3-diol;propane (PubChem CID 171649400) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)benzene-1,3-diol;propane.

Molecular Properties

Compound Name5-(hydroxymethyl)benzene-1,3-diol;propane
PubChem CID171649400
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name5-(hydroxymethyl)benzene-1,3-diol;propane
SMILESCCC.OCc1cc(O)cc(O)c1
InChIInChI=1S/C7H8O3.C3H8/c8-4-5-1-6(9)3-7(10)2-5;1-3-2/h1-3,8-10H,4H2;3H2,1-2H3
InChIKeyHGBWOVCYGBVEQG-UHFFFAOYSA-N
XLogP2.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)benzene-1,3-diol;propane?
The IUPAC name of 5-(hydroxymethyl)benzene-1,3-diol;propane (CID 171649400) is 5-(hydroxymethyl)benzene-1,3-diol;propane.
What is the SMILES notation for 5-(hydroxymethyl)benzene-1,3-diol;propane?
The canonical SMILES for 5-(hydroxymethyl)benzene-1,3-diol;propane is CCC.OCc1cc(O)cc(O)c1.
What is the InChIKey of 5-(hydroxymethyl)benzene-1,3-diol;propane?
The InChIKey is HGBWOVCYGBVEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.C3H8/c8-4-5-1-6(9)3-7(10)2-5;1-3-2/h1-3,8-10H,4H2;3H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)benzene-1,3-diol;propane?
5-(hydroxymethyl)benzene-1,3-diol;propane has a molecular weight of 184.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)benzene-1,3-diol;propane is sourced from PubChem (CID 171649400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).