2-(4-methoxyphenoxy)-1,2-diphenylethanone

C21H18O3 — CID 20722156

IUPAC2-(4-methoxyphenoxy)-1,2-diphenylethanone
SMILESCOc1ccc(OC(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c1-23-18-12-14-19(15-13-18)24-21(17-10-6-3-7-11-17)20(22)16-8-4-2-5-9-16/h2-15,21H,1H3
InChIKeyHMRAPLHUZLPNRG-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.70
Rot. Bonds6

About 2-(4-methoxyphenoxy)-1,2-diphenylethanone

2-(4-methoxyphenoxy)-1,2-diphenylethanone (PubChem CID 20722156) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1,2-diphenylethanone
PubChem CID20722156
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name2-(4-methoxyphenoxy)-1,2-diphenylethanone
SMILESCOc1ccc(OC(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c1-23-18-12-14-19(15-13-18)24-21(17-10-6-3-7-11-17)20(22)16-8-4-2-5-9-16/h2-15,21H,1H3
InChIKeyHMRAPLHUZLPNRG-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
CID 7816651
[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate
CID 7079593
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone
CID 58239720
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
2-isocyano-1-(4-methoxyphenyl)-2-phenylethanone
CID 140853508
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
2-bis(4-methoxyphenyl)phosphoryl-1,2-diphenylethanone
CID 155683528
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1,2-diphenylethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1,2-diphenylethanone (CID 20722156) is 2-(4-methoxyphenoxy)-1,2-diphenylethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1,2-diphenylethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1,2-diphenylethanone is COc1ccc(OC(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1,2-diphenylethanone?
The InChIKey is HMRAPLHUZLPNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-23-18-12-14-19(15-13-18)24-21(17-10-6-3-7-11-17)20(22)16-8-4-2-5-9-16/h2-15,21H,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-1,2-diphenylethanone?
2-(4-methoxyphenoxy)-1,2-diphenylethanone has a molecular weight of 318.37 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1,2-diphenylethanone is sourced from PubChem (CID 20722156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).