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

C32H26N2O4 — CID 123383733

IUPAC(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(c1ccccc1)O2.N#C/N=C1\CC(c2ccccc2)Oc2ccc(O)cc21
InChIInChI=1S/C16H12N2O2.C16H14O2/c17-10-18-14-9-16(11-4-2-1-3-5-11)20-15-7-6-12(19)8-13(14)15;1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h1-8,16,19H,9H2;2-9,16H,10H2,1H3/b18-14+;
InChIKeyIARRNKLOMQNYND-LSJACRKWSA-N
MW502.57 g/mol
LogP6.89
Rot. Bonds2

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

(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 123383733) has the molecular formula C32H26N2O4 and a molecular weight of 502.57 g/mol. Its IUPAC name is (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID123383733
Molecular FormulaC32H26N2O4
Molecular Weight502.57 g/mol
Exact Mass502.19
IUPAC Name(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(c1ccccc1)O2.N#C/N=C1\CC(c2ccccc2)Oc2ccc(O)cc21
InChIInChI=1S/C16H12N2O2.C16H14O2/c17-10-18-14-9-16(11-4-2-1-3-5-11)20-15-7-6-12(19)8-13(14)15;1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h1-8,16,19H,9H2;2-9,16H,10H2,1H3/b18-14+;
InChIKeyIARRNKLOMQNYND-LSJACRKWSA-N
XLogP6.89
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide
CID 58424361
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
6-hydroxy-2-(4-nitrophenyl)-2,3-dihydrochromen-4-one
CID 158863463
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673641
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 804880
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674234
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
6-hydroxy-2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 157444606

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one (CID 123383733) is (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)CC(c1ccccc1)O2.N#C/N=C1\CC(c2ccccc2)Oc2ccc(O)cc21.
What is the InChIKey of (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is IARRNKLOMQNYND-LSJACRKWSA-N. The full InChI is InChI=1S/C16H12N2O2.C16H14O2/c17-10-18-14-9-16(11-4-2-1-3-5-11)20-15-7-6-12(19)8-13(14)15;1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h1-8,16,19H,9H2;2-9,16H,10H2,1H3/b18-14+;.
What are the key properties of (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one?
(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 502.57 g/mol, XLogP of 6.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide;6-methyl-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 123383733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).