(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone

C22H18O2 — CID 15402871

IUPAC(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
SMILESCC1(C(=O)c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c1-21(20(23)17-11-5-2-6-12-17)22(24-21,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyYCSMAWOHBHGGNE-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.60
Rot. Bonds4

About (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone

(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone (PubChem CID 15402871) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
PubChem CID15402871
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
SMILESCC1(C(=O)c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c1-21(20(23)17-11-5-2-6-12-17)22(24-21,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyYCSMAWOHBHGGNE-UHFFFAOYSA-N
XLogP4.60
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
CID 100931886
(2S,3S)-2,3-dimethyl-3-phenyloxirane-2-carboxylic acid
CID 163625725
[(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 54245313
(3-methyl-1,4-dioxaspiro[4.4]nonan-3-yl)-phenylmethanone
CID 22416111
(1-fluorocyclopropyl)-phenylmethanone
CID 18983537
phenyl-(2-phenylaziridin-2-yl)methanone
CID 141297159
(1-methylcyclopent-3-en-1-yl)-phenylmethanone
CID 11106063
1,2-diphenylethane-1,2-dione;iron
CID 70488368
N-methyl-N-(1-methylcyclopropyl)benzamide
CID 66675854
(2,2,3-trimethyl-4,4-diphenyloxetan-3-yl)methanol
CID 15531973
2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one
CID 14591548
[4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone
CID 122370322

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone?
The IUPAC name of (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone (CID 15402871) is (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone.
What is the SMILES notation for (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone?
The canonical SMILES for (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone is CC1(C(=O)c2ccccc2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone?
The InChIKey is YCSMAWOHBHGGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-21(20(23)17-11-5-2-6-12-17)22(24-21,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3.
What are the key properties of (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone?
(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone has a molecular weight of 314.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone is sourced from PubChem (CID 15402871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).