5H-chromene-2,8-diol

C9H8O3 — CID 163441507

IUPAC5H-chromene-2,8-diol
SMILESOC1=CC=C2CC=CC(O)=C2O1
InChIInChI=1S/C9H8O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1,3-5,10-11H,2H2
InChIKeyZZMUINXGBCJWTF-UHFFFAOYSA-N
MW164.16 g/mol
LogP2.07
Rot. Bonds

About 5H-chromene-2,8-diol

5H-chromene-2,8-diol (PubChem CID 163441507) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5H-chromene-2,8-diol.

Molecular Properties

Compound Name5H-chromene-2,8-diol
PubChem CID163441507
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name5H-chromene-2,8-diol
SMILESOC1=CC=C2CC=CC(O)=C2O1
InChIInChI=1S/C9H8O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1,3-5,10-11H,2H2
InChIKeyZZMUINXGBCJWTF-UHFFFAOYSA-N
XLogP2.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-chromene-2,8-diol?
The IUPAC name of 5H-chromene-2,8-diol (CID 163441507) is 5H-chromene-2,8-diol.
What is the SMILES notation for 5H-chromene-2,8-diol?
The canonical SMILES for 5H-chromene-2,8-diol is OC1=CC=C2CC=CC(O)=C2O1.
What is the InChIKey of 5H-chromene-2,8-diol?
The InChIKey is ZZMUINXGBCJWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1,3-5,10-11H,2H2.
What are the key properties of 5H-chromene-2,8-diol?
5H-chromene-2,8-diol has a molecular weight of 164.16 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-chromene-2,8-diol is sourced from PubChem (CID 163441507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).