3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one

C18H10Br2O3 — CID 58008404

IUPAC3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one
SMILESCc1c(Br)c(=O)oc2c1ccc1oc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C18H10Br2O3/c1-9-11-7-8-12-13(17(11)23-18(21)14(9)19)15(20)16(22-12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyHZWQKNYGMWEWPO-UHFFFAOYSA-N
MW434.08 g/mol
LogP6.04
Rot. Bonds1

About 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one

3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one (PubChem CID 58008404) has the molecular formula C18H10Br2O3 and a molecular weight of 434.08 g/mol. Its IUPAC name is 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one
PubChem CID58008404
Molecular FormulaC18H10Br2O3
Molecular Weight434.08 g/mol
Exact Mass431.90
IUPAC Name3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one
SMILESCc1c(Br)c(=O)oc2c1ccc1oc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C18H10Br2O3/c1-9-11-7-8-12-13(17(11)23-18(21)14(9)19)15(20)16(22-12)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyHZWQKNYGMWEWPO-UHFFFAOYSA-N
XLogP6.04
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.08
LogP ≤ 56.04
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

3-bromo-4,7,8-trimethylchromen-2-one
CID 18801980
7-bromo-6-methyl-1H-pyrano[2,3-e][1,3]benzoxazole-2,8-dione
CID 2754053
3-bromo-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 24799272
3-bromo-7-hydroxy-4-methyl-2-oxochromene-8-carbonitrile
CID 24799270
5-bromo-4-methyl-6-phenylpyran-2-one
CID 121010886
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
3-bromo-7-(dimethylamino)-4-methylchromen-2-one
CID 121011345
6,8-dibromo-4-methyl-3-phenylchromen-2-one
CID 57376729
5-bromo-1,3-diphenyl-2-benzofuran
CID 71084545
3,8-dibromo-2-phenylchromen-4-one
CID 91664816
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
1-(4-bromophenyl)-3-phenyl-2-benzofuran
CID 59538643

Frequently Asked Questions

What is the IUPAC name of 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one (CID 58008404) is 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one is Cc1c(Br)c(=O)oc2c1ccc1oc(-c3ccccc3)c(Br)c12.
What is the InChIKey of 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is HZWQKNYGMWEWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2O3/c1-9-11-7-8-12-13(17(11)23-18(21)14(9)19)15(20)16(22-12)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one?
3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 434.08 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dibromo-4-methyl-8-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 58008404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).