2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone

C20H18O3 — CID 11208975

IUPAC2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone
SMILESO=C(CC1COCC=C1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O3/c21-19(15-7-3-1-4-8-15)13-17-14-23-12-11-18(17)20(22)16-9-5-2-6-10-16/h1-11,17H,12-14H2
InChIKeyJNEINOCEZJQZSD-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.72
Rot. Bonds5

About 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone

2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone (PubChem CID 11208975) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone
PubChem CID11208975
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone
SMILESO=C(CC1COCC=C1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O3/c21-19(15-7-3-1-4-8-15)13-17-14-23-12-11-18(17)20(22)16-9-5-2-6-10-16/h1-11,17H,12-14H2
InChIKeyJNEINOCEZJQZSD-UHFFFAOYSA-N
XLogP3.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
2-(4-hydroxyoxolan-3-yl)-1-phenylethanone
CID 130502882
2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone
CID 122385088
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
(4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one
CID 102019954
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
diphenylmethanone;gold
CID 174931146
[(1Z)-1-(4-phenacyloxolan-3-ylidene)octyl] acetate
CID 11222083
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-(2-bromocyclopropyl)-1-phenylethanone
CID 174508043
2-(oxetan-3-yloxy)-1-phenylethanone
CID 102606995

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone?
The IUPAC name of 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone (CID 11208975) is 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone is O=C(CC1COCC=C1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone?
The InChIKey is JNEINOCEZJQZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c21-19(15-7-3-1-4-8-15)13-17-14-23-12-11-18(17)20(22)16-9-5-2-6-10-16/h1-11,17H,12-14H2.
What are the key properties of 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone?
2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone has a molecular weight of 306.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-3,6-dihydro-2H-pyran-3-yl)-1-phenylethanone is sourced from PubChem (CID 11208975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).