7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one

C17H12O3 — CID 46742719

IUPAC7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one
SMILESO=C1c2ccccc2OC2OC12/C=C\c1ccccc1
InChIInChI=1S/C17H12O3/c18-15-13-8-4-5-9-14(13)19-16-17(15,20-16)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10-
InChIKeySIDDOHVCHGRLBY-KHPPLWFESA-N
MW264.28 g/mol
LogP3.07
Rot. Bonds2

About 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one

7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one (PubChem CID 46742719) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one.

Molecular Properties

Compound Name7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one
PubChem CID46742719
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one
SMILESO=C1c2ccccc2OC2OC12/C=C\c1ccccc1
InChIInChI=1S/C17H12O3/c18-15-13-8-4-5-9-14(13)19-16-17(15,20-16)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10-
InChIKeySIDDOHVCHGRLBY-KHPPLWFESA-N
XLogP3.07
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one
CID 13430215
(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 177403200
3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3856663
(2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554165
(2S,3S)-2-methoxy-4-oxo-3-[(E)-3-phenylprop-2-enyl]-2H-chromene-3-carbonitrile
CID 162416396
(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554166
cesium (1R,2R,6R)-2-methyl-5-oxo-6-[(E)-2-phenylethenyl]-7-oxabicyclo[4.1.0]hept-3-en-2-olate
CID 154711262
2-[(E)-2-phenylethenyl]-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 101138704
(3S)-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162808864
(2S,5S)-2-tert-butyl-5-phenyl-5-[(E)-2-phenylethenyl]-1,3-dioxolan-4-one
CID 101465854
1-[(E)-2-phenylethenyl]-1λ3,2-benziodoxol-3-one
CID 132548899
(2S,3S,4'R)-3',4'-bis(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 139065839

Frequently Asked Questions

What is the IUPAC name of 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one?
The IUPAC name of 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one (CID 46742719) is 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one.
What is the SMILES notation for 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one?
The canonical SMILES for 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one is O=C1c2ccccc2OC2OC12/C=C\c1ccccc1.
What is the InChIKey of 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one?
The InChIKey is SIDDOHVCHGRLBY-KHPPLWFESA-N. The full InChI is InChI=1S/C17H12O3/c18-15-13-8-4-5-9-14(13)19-16-17(15,20-16)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10-.
What are the key properties of 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one?
7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one has a molecular weight of 264.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one is sourced from PubChem (CID 46742719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).