sodium;diphenylmethanone;2-ethoxypropan-1-olate

C18H21NaO3 — CID 23675703

IUPACsodium;diphenylmethanone;2-ethoxypropan-1-olate
SMILESCCOC(C)C[O-].O=C(c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C13H10O.C5H11O2.Na/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-5(2)4-6;/h1-10H;5H,3-4H2,1-2H3;/q;-1;+1
InChIKeyVLDZMXOTVDLYON-UHFFFAOYSA-N
MW308.35 g/mol
LogP-0.31
Rot. Bonds5

About sodium;diphenylmethanone;2-ethoxypropan-1-olate

sodium;diphenylmethanone;2-ethoxypropan-1-olate (PubChem CID 23675703) has the molecular formula C18H21NaO3 and a molecular weight of 308.35 g/mol. Its IUPAC name is sodium;diphenylmethanone;2-ethoxypropan-1-olate.

Molecular Properties

Compound Namesodium;diphenylmethanone;2-ethoxypropan-1-olate
PubChem CID23675703
Molecular FormulaC18H21NaO3
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Namesodium;diphenylmethanone;2-ethoxypropan-1-olate
SMILESCCOC(C)C[O-].O=C(c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C13H10O.C5H11O2.Na/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-5(2)4-6;/h1-10H;5H,3-4H2,1-2H3;/q;-1;+1
InChIKeyVLDZMXOTVDLYON-UHFFFAOYSA-N
XLogP-0.31
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
disodium;diphenylmethanone
CID 19380838
butane-2,3-diol;diphenylmethanone
CID 175235923
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
benzene;octakis(diphenylmethanone);ethane;methoxymethane;propane;hexakis(propan-2-one)
CID 157064621
2-ethoxy-3-oxo-3-phenylpropanoic acid
CID 154323938
[(1R,2S)-2-benzoyloxy-1,2-diethoxyethyl] benzoate
CID 92529627
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
diphenylmethanone;ethyl 3-amino-2-hydroxypropanoate
CID 174970352
diphenylmethanone;propanal
CID 159329764

Frequently Asked Questions

What is the IUPAC name of sodium;diphenylmethanone;2-ethoxypropan-1-olate?
The IUPAC name of sodium;diphenylmethanone;2-ethoxypropan-1-olate (CID 23675703) is sodium;diphenylmethanone;2-ethoxypropan-1-olate.
What is the SMILES notation for sodium;diphenylmethanone;2-ethoxypropan-1-olate?
The canonical SMILES for sodium;diphenylmethanone;2-ethoxypropan-1-olate is CCOC(C)C[O-].O=C(c1ccccc1)c1ccccc1.[Na+].
What is the InChIKey of sodium;diphenylmethanone;2-ethoxypropan-1-olate?
The InChIKey is VLDZMXOTVDLYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C5H11O2.Na/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-5(2)4-6;/h1-10H;5H,3-4H2,1-2H3;/q;-1;+1.
What are the key properties of sodium;diphenylmethanone;2-ethoxypropan-1-olate?
sodium;diphenylmethanone;2-ethoxypropan-1-olate has a molecular weight of 308.35 g/mol, XLogP of -0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diphenylmethanone;2-ethoxypropan-1-olate is sourced from PubChem (CID 23675703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).