(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide

C16H12N2O2 — CID 58424361

IUPAC(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide
SMILESN#C/N=C1\CC(c2ccccc2)Oc2ccc(O)cc21
InChIInChI=1S/C16H12N2O2/c17-10-18-14-9-16(11-4-2-1-3-5-11)20-15-7-6-12(19)8-13(14)15/h1-8,16,19H,9H2/b18-14+
InChIKeyYXTMBCCARZXTBV-NBVRZTHBSA-N
MW264.28 g/mol
LogP3.19
Rot. Bonds1

About (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide

(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide (PubChem CID 58424361) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide.

Molecular Properties

Compound Name(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide
PubChem CID58424361
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide
SMILESN#C/N=C1\CC(c2ccccc2)Oc2ccc(O)cc21
InChIInChI=1S/C16H12N2O2/c17-10-18-14-9-16(11-4-2-1-3-5-11)20-15-7-6-12(19)8-13(14)15/h1-8,16,19H,9H2/b18-14+
InChIKeyYXTMBCCARZXTBV-NBVRZTHBSA-N
XLogP3.19
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide?
The IUPAC name of (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide (CID 58424361) is (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide.
What is the SMILES notation for (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide?
The canonical SMILES for (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide is N#C/N=C1\CC(c2ccccc2)Oc2ccc(O)cc21.
What is the InChIKey of (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide?
The InChIKey is YXTMBCCARZXTBV-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-10-18-14-9-16(11-4-2-1-3-5-11)20-15-7-6-12(19)8-13(14)15/h1-8,16,19H,9H2/b18-14+.
What are the key properties of (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide?
(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide has a molecular weight of 264.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide is sourced from PubChem (CID 58424361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).