3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one

C15H14O4 — CID 8616

IUPAC3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
SMILESCOc1c(C(C)C)oc2cc3oc(=O)ccc3cc12
InChIInChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
InChIKeyYQBNJPACAUPNLV-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.67
Rot. Bonds2

About 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one

3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one (PubChem CID 8616) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
PubChem CID8616
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
SMILESCOc1c(C(C)C)oc2cc3oc(=O)ccc3cc12
InChIInChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
InChIKeyYQBNJPACAUPNLV-UHFFFAOYSA-N
XLogP3.67
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
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-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one (CID 8616) is 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one is COc1c(C(C)C)oc2cc3oc(=O)ccc3cc12.
What is the InChIKey of 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one?
The InChIKey is YQBNJPACAUPNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one?
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one has a molecular weight of 258.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 8616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).