4H-chromene-4,7-diol

C9H8O3 — CID 67492967

IUPAC4H-chromene-4,7-diol
SMILESOc1ccc2c(c1)OC=CC2O
InChIInChI=1S/C9H8O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,8,10-11H
InChIKeyVLMKDRZVPRRPAW-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.33
Rot. Bonds

About 4H-chromene-4,7-diol

4H-chromene-4,7-diol (PubChem CID 67492967) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4H-chromene-4,7-diol.

Molecular Properties

Compound Name4H-chromene-4,7-diol
PubChem CID67492967
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name4H-chromene-4,7-diol
SMILESOc1ccc2c(c1)OC=CC2O
InChIInChI=1S/C9H8O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,8,10-11H
InChIKeyVLMKDRZVPRRPAW-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-chromene-4,7-diol?
The IUPAC name of 4H-chromene-4,7-diol (CID 67492967) is 4H-chromene-4,7-diol.
What is the SMILES notation for 4H-chromene-4,7-diol?
The canonical SMILES for 4H-chromene-4,7-diol is Oc1ccc2c(c1)OC=CC2O.
What is the InChIKey of 4H-chromene-4,7-diol?
The InChIKey is VLMKDRZVPRRPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,8,10-11H.
What are the key properties of 4H-chromene-4,7-diol?
4H-chromene-4,7-diol has a molecular weight of 164.16 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-chromene-4,7-diol is sourced from PubChem (CID 67492967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).