sodium;(2-ethylphenyl)-phenylmethanone;hydride

C15H15NaO — CID 175475173

IUPACsodium;(2-ethylphenyl)-phenylmethanone;hydride
SMILESCCc1ccccc1C(=O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C15H14O.Na.H/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13;;/h3-11H,2H2,1H3;;/q;+1;-1
InChIKeyLJJCKDKDTZPTMZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP0.60
Rot. Bonds3

About sodium;(2-ethylphenyl)-phenylmethanone;hydride

sodium;(2-ethylphenyl)-phenylmethanone;hydride (PubChem CID 175475173) has the molecular formula C15H15NaO and a molecular weight of 234.27 g/mol. Its IUPAC name is sodium;(2-ethylphenyl)-phenylmethanone;hydride.

Molecular Properties

Compound Namesodium;(2-ethylphenyl)-phenylmethanone;hydride
PubChem CID175475173
Molecular FormulaC15H15NaO
Molecular Weight234.27 g/mol
Exact Mass234.10
IUPAC Namesodium;(2-ethylphenyl)-phenylmethanone;hydride
SMILESCCc1ccccc1C(=O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C15H14O.Na.H/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13;;/h3-11H,2H2,1H3;;/q;+1;-1
InChIKeyLJJCKDKDTZPTMZ-UHFFFAOYSA-N
XLogP0.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diphenylmethanone;(2-ethylbenzoyl)phosphonic acid
CID 175203276
[2-(2-aminopropyl)phenyl]-phenylmethanone
CID 130367835
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
phenyl-(2-tridecylphenyl)methanone
CID 159151783
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
2-ethylbenzoic acid;tungsten
CID 23518478
5-(2-ethylbenzoyl)-2-fluorobenzaldehyde
CID 156815648
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876

Frequently Asked Questions

What is the IUPAC name of sodium;(2-ethylphenyl)-phenylmethanone;hydride?
The IUPAC name of sodium;(2-ethylphenyl)-phenylmethanone;hydride (CID 175475173) is sodium;(2-ethylphenyl)-phenylmethanone;hydride.
What is the SMILES notation for sodium;(2-ethylphenyl)-phenylmethanone;hydride?
The canonical SMILES for sodium;(2-ethylphenyl)-phenylmethanone;hydride is CCc1ccccc1C(=O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;(2-ethylphenyl)-phenylmethanone;hydride?
The InChIKey is LJJCKDKDTZPTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.Na.H/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13;;/h3-11H,2H2,1H3;;/q;+1;-1.
What are the key properties of sodium;(2-ethylphenyl)-phenylmethanone;hydride?
sodium;(2-ethylphenyl)-phenylmethanone;hydride has a molecular weight of 234.27 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2-ethylphenyl)-phenylmethanone;hydride is sourced from PubChem (CID 175475173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).