2-(2-methylpropoxymethoxy)-1,2-diphenylethanone

C19H22O3 — CID 57254224

IUPAC2-(2-methylpropoxymethoxy)-1,2-diphenylethanone
SMILESCC(C)COCOC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O3/c1-15(2)13-21-14-22-19(17-11-7-4-8-12-17)18(20)16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3
InChIKeyBEHODUGIBUMOFL-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.26
Rot. Bonds8

About 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone

2-(2-methylpropoxymethoxy)-1,2-diphenylethanone (PubChem CID 57254224) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(2-methylpropoxymethoxy)-1,2-diphenylethanone
PubChem CID57254224
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-(2-methylpropoxymethoxy)-1,2-diphenylethanone
SMILESCC(C)COCOC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O3/c1-15(2)13-21-14-22-19(17-11-7-4-8-12-17)18(20)16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3
InChIKeyBEHODUGIBUMOFL-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
CID 736037
2-(2,3-dimethylbutoxy)-1,2-diphenylethanone
CID 175210232
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
2-(2-chloroethoxy)-1,2-diphenylethanone
CID 12628444
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone
CID 141289479
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792
(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone?
The IUPAC name of 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone (CID 57254224) is 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone.
What is the SMILES notation for 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone?
The canonical SMILES for 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone is CC(C)COCOC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone?
The InChIKey is BEHODUGIBUMOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-15(2)13-21-14-22-19(17-11-7-4-8-12-17)18(20)16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3.
What are the key properties of 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone?
2-(2-methylpropoxymethoxy)-1,2-diphenylethanone has a molecular weight of 298.38 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxymethoxy)-1,2-diphenylethanone is sourced from PubChem (CID 57254224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).