(8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one

C21H18O3 — CID 177470234

IUPAC(8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one
SMILESC/C=C(\C)[C@H]1Cc2c(ccc3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C21H18O3/c1-3-13(2)19-11-16-18(23-19)10-9-15-17(22)12-20(24-21(15)16)14-7-5-4-6-8-14/h3-10,12,19H,11H2,1-2H3/b13-3+/t19-/m1/s1
InChIKeyOXIZAKOUGDXBFD-OWWFXUTMSA-N
MW318.37 g/mol
LogP4.73
Rot. Bonds2

About (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one

(8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one (PubChem CID 177470234) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name(8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one
PubChem CID177470234
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one
SMILESC/C=C(\C)[C@H]1Cc2c(ccc3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C21H18O3/c1-3-13(2)19-11-16-18(23-19)10-9-15-17(22)12-20(24-21(15)16)14-7-5-4-6-8-14/h3-10,12,19H,11H2,1-2H3/b13-3+/t19-/m1/s1
InChIKeyOXIZAKOUGDXBFD-OWWFXUTMSA-N
XLogP4.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one
CID 102355326
(8R)-8-ethenyl-8-methyl-2-phenyl-9H-furo[2,3-h]chromen-4-one
CID 101371809
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
10-phenylpyrano[3,2-i][1,3,5]benzotrioxepine-2,4,8-trione
CID 90117549
(7aR,11aR)-2-phenyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-4-one
CID 102355318
8-(hydroxymethyl)-2-phenylchromen-4-one
CID 141073629
4-oxo-2-phenylchromene-8-carbaldehyde
CID 13233926
8-phenylfuro[3,2-h]chromen-6-one
CID 162925153
bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one
CID 175725603
(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate
CID 71602857
[(E)-5-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2-methyl-3-oxopent-4-en-2-yl] acetate
CID 1008477
2-phenylthieno[2,3-h]chromen-4-one
CID 5274461

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one?
The IUPAC name of (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one (CID 177470234) is (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one.
What is the SMILES notation for (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one?
The canonical SMILES for (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one is C/C=C(\C)[C@H]1Cc2c(ccc3c(=O)cc(-c4ccccc4)oc23)O1.
What is the InChIKey of (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one?
The InChIKey is OXIZAKOUGDXBFD-OWWFXUTMSA-N. The full InChI is InChI=1S/C21H18O3/c1-3-13(2)19-11-16-18(23-19)10-9-15-17(22)12-20(24-21(15)16)14-7-5-4-6-8-14/h3-10,12,19H,11H2,1-2H3/b13-3+/t19-/m1/s1.
What are the key properties of (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one?
(8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one has a molecular weight of 318.37 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[(E)-but-2-en-2-yl]-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-4-one is sourced from PubChem (CID 177470234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).