2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one

C17H12O3 — CID 102369758

IUPAC2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
SMILESCc1cc2oc(=O)c3c4ccccc4oc3c2cc1C
InChIInChI=1S/C17H12O3/c1-9-7-12-14(8-10(9)2)20-17(18)15-11-5-3-4-6-13(11)19-16(12)15/h3-8H,1-2H3
InChIKeyJJFWDEJFNIVEFC-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.31
Rot. Bonds

About 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one

2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 102369758) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID102369758
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
SMILESCc1cc2oc(=O)c3c4ccccc4oc3c2cc1C
InChIInChI=1S/C17H12O3/c1-9-7-12-14(8-10(9)2)20-17(18)15-11-5-3-4-6-13(11)19-16(12)15/h3-8H,1-2H3
InChIKeyJJFWDEJFNIVEFC-UHFFFAOYSA-N
XLogP4.31
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
3-hydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
CID 147944072
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one
CID 16754820
11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione
CID 10728490
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
17-methyl-12,20-dioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17-nonaen-21-one
CID 118531175
9-methyl-7-phenylbenzo[c]chromen-6-one
CID 16754507
8-fluoro-9-methylbenzo[c]chromen-6-one
CID 164685719

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one (CID 102369758) is 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one is Cc1cc2oc(=O)c3c4ccccc4oc3c2cc1C.
What is the InChIKey of 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is JJFWDEJFNIVEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-9-7-12-14(8-10(9)2)20-17(18)15-11-5-3-4-6-13(11)19-16(12)15/h3-8H,1-2H3.
What are the key properties of 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one?
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 264.28 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 102369758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).