2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one

C15H14O4 — CID 18612305

IUPAC2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2c(C)c3oc(CO)c(C)c3cc12
InChIInChI=1S/C15H14O4/c1-7-4-13(17)19-14-9(3)15-11(5-10(7)14)8(2)12(6-16)18-15/h4-5,16H,6H2,1-3H3
InChIKeyASNFMRDJIIYCDP-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.96
Rot. Bonds1

About 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one

2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one (PubChem CID 18612305) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
PubChem CID18612305
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2c(C)c3oc(CO)c(C)c3cc12
InChIInChI=1S/C15H14O4/c1-7-4-13(17)19-14-9(3)15-11(5-10(7)14)8(2)12(6-16)18-15/h4-5,16H,6H2,1-3H3
InChIKeyASNFMRDJIIYCDP-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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Related Compounds

2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one
CID 122537825
8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one
CID 22889016
2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 1239680
3-tert-butyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 907312
9-(2-hydroxyethoxymethyl)-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 18421417
ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 174817988
9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 10106552
3-(5-aminopentyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 89134120
2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 907369
2-benzoyl-3-ethyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 631400
8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one
CID 46883450
3-(butoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 59925675

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one (CID 18612305) is 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one is Cc1cc(=O)oc2c(C)c3oc(CO)c(C)c3cc12.
What is the InChIKey of 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one?
The InChIKey is ASNFMRDJIIYCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-7-4-13(17)19-14-9(3)15-11(5-10(7)14)8(2)12(6-16)18-15/h4-5,16H,6H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one?
2-(hydroxymethyl)-3,5,9-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 2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 18612305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).