2,2-dimethylpropane;diphenylmethanone

C18H22O — CID 159191976

IUPAC2,2-dimethylpropane;diphenylmethanone
SMILESCC(C)(C)C.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C5H12/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;1-4H3
InChIKeyKOEUELYJHXRFEJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.97
Rot. Bonds2

About 2,2-dimethylpropane;diphenylmethanone

2,2-dimethylpropane;diphenylmethanone (PubChem CID 159191976) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,2-dimethylpropane;diphenylmethanone.

Molecular Properties

Compound Name2,2-dimethylpropane;diphenylmethanone
PubChem CID159191976
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2,2-dimethylpropane;diphenylmethanone
SMILESCC(C)(C)C.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C5H12/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;1-4H3
InChIKeyKOEUELYJHXRFEJ-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
cobalt(2+);diphenylmethanone
CID 19033779
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CID 19380838
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
acetic acid;diphenylmethanone;hydrate
CID 161284686
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;isocyanic acid
CID 87839825
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;diphenylmethanone?
The IUPAC name of 2,2-dimethylpropane;diphenylmethanone (CID 159191976) is 2,2-dimethylpropane;diphenylmethanone.
What is the SMILES notation for 2,2-dimethylpropane;diphenylmethanone?
The canonical SMILES for 2,2-dimethylpropane;diphenylmethanone is CC(C)(C)C.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-dimethylpropane;diphenylmethanone?
The InChIKey is KOEUELYJHXRFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C5H12/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;1-4H3.
What are the key properties of 2,2-dimethylpropane;diphenylmethanone?
2,2-dimethylpropane;diphenylmethanone has a molecular weight of 254.37 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;diphenylmethanone is sourced from PubChem (CID 159191976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).