3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one

C15H14O4 — CID 18762489

IUPAC3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1c(C)c2c(C)c3c(CO)coc3cc2oc1=O
InChIInChI=1S/C15H14O4/c1-7-8(2)15(17)19-12-4-11-14(9(3)13(7)12)10(5-16)6-18-11/h4,6,16H,5H2,1-3H3
InChIKeyBOMNMIYPOVHSMD-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.96
Rot. Bonds1

About 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one

3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 18762489) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one
PubChem CID18762489
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1c(C)c2c(C)c3c(CO)coc3cc2oc1=O
InChIInChI=1S/C15H14O4/c1-7-8(2)15(17)19-12-4-11-14(9(3)13(7)12)10(5-16)6-18-11/h4,6,16H,5H2,1-3H3
InChIKeyBOMNMIYPOVHSMD-UHFFFAOYSA-N
XLogP2.96
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one (CID 18762489) is 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one is Cc1c(C)c2c(C)c3c(CO)coc3cc2oc1=O.
What is the InChIKey of 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is BOMNMIYPOVHSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-7-8(2)15(17)19-12-4-11-14(9(3)13(7)12)10(5-16)6-18-11/h4,6,16H,5H2,1-3H3.
What are the key properties of 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one?
3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one has a molecular weight of 258.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4,5,6-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 18762489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).