3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one

C14H14O3 — CID 4176623

IUPAC3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one
SMILESCc1c(C)c2ccc3c(c2oc1=O)CC(C)O3
InChIInChI=1S/C14H14O3/c1-7-6-11-12(16-7)5-4-10-8(2)9(3)14(15)17-13(10)11/h4-5,7H,6H2,1-3H3
InChIKeyGWNDPSWCXFXQDZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.73
Rot. Bonds

About 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one

3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one (PubChem CID 4176623) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one
PubChem CID4176623
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one
SMILESCc1c(C)c2ccc3c(c2oc1=O)CC(C)O3
InChIInChI=1S/C14H14O3/c1-7-6-11-12(16-7)5-4-10-8(2)9(3)14(15)17-13(10)11/h4-5,7H,6H2,1-3H3
InChIKeyGWNDPSWCXFXQDZ-UHFFFAOYSA-N
XLogP2.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one?
The IUPAC name of 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one (CID 4176623) is 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one.
What is the SMILES notation for 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one?
The canonical SMILES for 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one is Cc1c(C)c2ccc3c(c2oc1=O)CC(C)O3.
What is the InChIKey of 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one?
The InChIKey is GWNDPSWCXFXQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-7-6-11-12(16-7)5-4-10-8(2)9(3)14(15)17-13(10)11/h4-5,7H,6H2,1-3H3.
What are the key properties of 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one?
3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8-trimethyl-8,9-dihydrofuro[2,3-h]chromen-2-one is sourced from PubChem (CID 4176623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).