(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one

C17H14O2 — CID 7084615

IUPAC(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one
SMILESO=C1c2ccccc2OC[C@]12C[C@H]2c1ccccc1
InChIInChI=1S/C17H14O2/c18-16-13-8-4-5-9-15(13)19-11-17(16)10-14(17)12-6-2-1-3-7-12/h1-9,14H,10-11H2/t14-,17-/m0/s1
InChIKeyAWXJBGPSGPZWGA-YOEHRIQHSA-N
MW250.30 g/mol
LogP3.44
Rot. Bonds1

About (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one

(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one (PubChem CID 7084615) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one
PubChem CID7084615
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one
SMILESO=C1c2ccccc2OC[C@]12C[C@H]2c1ccccc1
InChIInChI=1S/C17H14O2/c18-16-13-8-4-5-9-15(13)19-11-17(16)10-14(17)12-6-2-1-3-7-12/h1-9,14H,10-11H2/t14-,17-/m0/s1
InChIKeyAWXJBGPSGPZWGA-YOEHRIQHSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1'S,3R)-4-oxospiro[2H-chromene-3,2'-cyclopropane]-1'-carbonitrile
CID 1478547
(1'R,3S)-4-oxospiro[2H-chromene-3,2'-cyclopropane]-1'-carbonitrile
CID 1478544
2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
CID 1478538
3,3-difluoro-2H-chromen-4-one
CID 156711266
3-methyl-3-sulfanyl-2H-chromen-4-one
CID 174301602
CID 11812335
CID 11812335
3'-(4-oxo-1',4'-diphenylspiro[2H-chromene-3,5'-4H-pyrazole]-3'-yl)-1',4'-diphenylspiro[2H-chromene-3,5'-4H-pyrazole]-4-one
CID 102399539
(3R,4'S)-4'-(4-methoxyphenyl)spiro[2H-chromene-3,5'-3,4-dihydropyrazole]-4-one
CID 7200676
CID 11729274
CID 11729274
3-(iodomethyl)-3-methyl-2H-chromen-4-one
CID 10590440
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
2-phenylspiro[2.5]octan-8-one
CID 14952236

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one?
The IUPAC name of (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one (CID 7084615) is (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one.
What is the SMILES notation for (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one?
The canonical SMILES for (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one is O=C1c2ccccc2OC[C@]12C[C@H]2c1ccccc1.
What is the InChIKey of (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one?
The InChIKey is AWXJBGPSGPZWGA-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H14O2/c18-16-13-8-4-5-9-15(13)19-11-17(16)10-14(17)12-6-2-1-3-7-12/h1-9,14H,10-11H2/t14-,17-/m0/s1.
What are the key properties of (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one?
(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one has a molecular weight of 250.30 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one is sourced from PubChem (CID 7084615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).