(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone

C18H20O2 — CID 736037

IUPAC(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
SMILESCC(C)CO[C@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(2)13-20-18(16-11-7-4-8-12-16)17(19)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3/t18-/m0/s1
InChIKeyJMVZGKVGQDHWOI-SFHVURJKSA-N
MW268.36 g/mol
LogP4.28
Rot. Bonds6

About (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone

(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone (PubChem CID 736037) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone.

Molecular Properties

Compound Name(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
PubChem CID736037
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
SMILESCC(C)CO[C@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(2)13-20-18(16-11-7-4-8-12-16)17(19)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3/t18-/m0/s1
InChIKeyJMVZGKVGQDHWOI-SFHVURJKSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropoxymethoxy)-1,2-diphenylethanone
CID 57254224
2-(2,3-dimethylbutoxy)-1,2-diphenylethanone
CID 175210232
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone
CID 141289479
2-(2-chloroethoxy)-1,2-diphenylethanone
CID 12628444
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
3-(2-methylpropoxy)-3-phenylpropanoic acid
CID 114988873
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone?
The IUPAC name of (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone (CID 736037) is (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone.
What is the SMILES notation for (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone?
The canonical SMILES for (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone is CC(C)CO[C@H](C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone?
The InChIKey is JMVZGKVGQDHWOI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(2)13-20-18(16-11-7-4-8-12-16)17(19)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone?
(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone has a molecular weight of 268.36 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropoxy)-1,2-diphenylethanone is sourced from PubChem (CID 736037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).