2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone

C17H16O2 — CID 73333079

IUPAC2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
SMILESO=C(C[C@H]1CCc2ccccc2O1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(13-6-2-1-3-7-13)12-15-11-10-14-8-4-5-9-17(14)19-15/h1-9,15H,10-12H2/t15-/m1/s1
InChIKeyXQZHNPTVRAGYQG-OAHLLOKOSA-N
MW252.31 g/mol
LogP3.65
Rot. Bonds3

About 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone

2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone (PubChem CID 73333079) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
PubChem CID73333079
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
SMILESO=C(C[C@H]1CCc2ccccc2O1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(13-6-2-1-3-7-13)12-15-11-10-14-8-4-5-9-17(14)19-15/h1-9,15H,10-12H2/t15-/m1/s1
InChIKeyXQZHNPTVRAGYQG-OAHLLOKOSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
S-(2,4,6-trimethylphenyl) 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]ethanethioate
CID 73333184
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid
CID 22573238
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
CID 154114295
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
2-[(2R)-6-methyl-3,4-dihydro-2H-chromen-2-yl]acetic acid
CID 147031963
(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol
CID 67581666
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 134128099
1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 58067700

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone?
The IUPAC name of 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone (CID 73333079) is 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone is O=C(C[C@H]1CCc2ccccc2O1)c1ccccc1.
What is the InChIKey of 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone?
The InChIKey is XQZHNPTVRAGYQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16O2/c18-16(13-6-2-1-3-7-13)12-15-11-10-14-8-4-5-9-17(14)19-15/h1-9,15H,10-12H2/t15-/m1/s1.
What are the key properties of 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone?
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone has a molecular weight of 252.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone is sourced from PubChem (CID 73333079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).