7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one

C17H14O4 — CID 3044476

IUPAC7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
SMILESCOc1ccc2c(c1)OCC1(OC1c1ccccc1)C2=O
InChIInChI=1S/C17H14O4/c1-19-12-7-8-13-14(9-12)20-10-17(15(13)18)16(21-17)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyRNRRWEVZKSEGBR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.78
Rot. Bonds2

About 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one

7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one (PubChem CID 3044476) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one.

Molecular Properties

Compound Name7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
PubChem CID3044476
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
SMILESCOc1ccc2c(c1)OCC1(OC1c1ccccc1)C2=O
InChIInChI=1S/C17H14O4/c1-19-12-7-8-13-14(9-12)20-10-17(15(13)18)16(21-17)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyRNRRWEVZKSEGBR-UHFFFAOYSA-N
XLogP2.78
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 82277925
(3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one
CID 1276797
6-methoxy-1-benzofuran-3-one
CID 585368
(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one
CID 11826912
3,3-dibromo-7-(4-methoxyphenyl)-2H-chromen-4-one
CID 69402758
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
(3S)-3-butyl-3-(hydroxymethyl)-7-methoxy-2H-chromen-4-one
CID 101115256
(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
CID 163068081
3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
CID 151487704
7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one
CID 22033069
(3R)-3-(hydroxymethyl)-7-methoxy-3-pentyl-2H-chromen-4-one
CID 101115257
7-methoxy-2-(1-phenylethyl)-2,3-dihydrochromen-4-one
CID 114672307

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The IUPAC name of 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one (CID 3044476) is 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one.
What is the SMILES notation for 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The canonical SMILES for 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one is COc1ccc2c(c1)OCC1(OC1c1ccccc1)C2=O.
What is the InChIKey of 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The InChIKey is RNRRWEVZKSEGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-7-8-13-14(9-12)20-10-17(15(13)18)16(21-17)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3.
What are the key properties of 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one is sourced from PubChem (CID 3044476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).