lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride

C29H31LiO2 — CID 159858398

IUPAClithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride
SMILESCC.CC(O)(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.[H-].[Li+]
InChIInChI=1S/C14H14O.C13H10O.C2H6.Li.H/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2;;/h2-11,15H,1H3;1-10H;1-2H3;;/q;;;+1;-1
InChIKeyQKKVXVPEOAJZOU-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.00
Rot. Bonds4

About lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride

lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride (PubChem CID 159858398) has the molecular formula C29H31LiO2 and a molecular weight of 418.51 g/mol. Its IUPAC name is lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride.

Molecular Properties

Compound Namelithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride
PubChem CID159858398
Molecular FormulaC29H31LiO2
Molecular Weight418.51 g/mol
Exact Mass418.25
IUPAC Namelithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride
SMILESCC.CC(O)(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.[H-].[Li+]
InChIInChI=1S/C14H14O.C13H10O.C2H6.Li.H/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2;;/h2-11,15H,1H3;1-10H;1-2H3;;/q;;;+1;-1
InChIKeyQKKVXVPEOAJZOU-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone
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diphenylmethanone
CID 3102
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CID 19380838
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diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;ethane;toluene
CID 157406780
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CID 143307418

Frequently Asked Questions

What is the IUPAC name of lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride?
The IUPAC name of lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride (CID 159858398) is lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride.
What is the SMILES notation for lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride?
The canonical SMILES for lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride is CC.CC(O)(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride?
The InChIKey is QKKVXVPEOAJZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C13H10O.C2H6.Li.H/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2;;/h2-11,15H,1H3;1-10H;1-2H3;;/q;;;+1;-1.
What are the key properties of lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride?
lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride has a molecular weight of 418.51 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride is sourced from PubChem (CID 159858398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).