4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one

C25H18N2O3 — CID 44600693

IUPAC4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(/C(=N/N)c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C25H18N2O3/c1-15-14-20(28)30-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(29-19)23(27-26)17-10-6-3-7-11-17/h2-14H,26H2,1H3/b27-23+
InChIKeyNYRGYSMDPSGHLR-SLEBQGDGSA-N
MW394.43 g/mol
LogP5.23
Rot. Bonds3

About 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one

4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one (PubChem CID 44600693) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one
PubChem CID44600693
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1oc(/C(=N/N)c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C25H18N2O3/c1-15-14-20(28)30-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(29-19)23(27-26)17-10-6-3-7-11-17/h2-14H,26H2,1H3/b27-23+
InChIKeyNYRGYSMDPSGHLR-SLEBQGDGSA-N
XLogP5.23
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-8-(3-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
CID 44554561
8-(benzenecarbonothioyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;4-methyl-9-phenyl-8-(1-phenylethenyl)furo[2,3-h]chromen-2-one
CID 143912487
8-benzoyl-9-(4-fluorophenyl)-4-methylfuro[2,3-h]chromen-2-one
CID 44599243
8-[4-(dimethylamino)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008436
3-(4-methyl-2-oxo-9-phenylfuro[2,3-h]chromene-8-carbonyl)benzonitrile
CID 44554728
3-(8-benzoyl-4-methyl-2-oxofuro[2,3-h]chromen-9-yl)benzonitrile
CID 44599406
8-(2,4-dichlorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44555055
8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44555207
8-[3-(3-chloropropoxy)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44600052
8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one
CID 44553869
8-[3-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 44552830
8-(3-decoxybenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008457

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one?
The IUPAC name of 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one (CID 44600693) is 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one.
What is the SMILES notation for 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one?
The canonical SMILES for 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(/C(=N/N)c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one?
The InChIKey is NYRGYSMDPSGHLR-SLEBQGDGSA-N. The full InChI is InChI=1S/C25H18N2O3/c1-15-14-20(28)30-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(29-19)23(27-26)17-10-6-3-7-11-17/h2-14H,26H2,1H3/b27-23+.
What are the key properties of 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one?
4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one has a molecular weight of 394.43 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-phenyl-8-[(E)-C-phenylcarbonohydrazonoyl]furo[2,3-h]chromen-2-one is sourced from PubChem (CID 44600693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).