2-methyl-1-phenylpropan-1-one;1-phenylethanone

C18H20O2 — CID 162124258

IUPAC2-methyl-1-phenylpropan-1-one;1-phenylethanone
SMILESCC(=O)c1ccccc1.CC(C)C(=O)c1ccccc1
InChIInChI=1S/C10H12O.C8H8O/c1-8(2)10(11)9-6-4-3-5-7-9;1-7(9)8-5-3-2-4-6-8/h3-8H,1-2H3;2-6H,1H3
InChIKeyZHUWJAUNZFNNPK-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.41
Rot. Bonds3

About 2-methyl-1-phenylpropan-1-one;1-phenylethanone

2-methyl-1-phenylpropan-1-one;1-phenylethanone (PubChem CID 162124258) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-1-phenylpropan-1-one;1-phenylethanone.

Molecular Properties

Compound Name2-methyl-1-phenylpropan-1-one;1-phenylethanone
PubChem CID162124258
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-methyl-1-phenylpropan-1-one;1-phenylethanone
SMILESCC(=O)c1ccccc1.CC(C)C(=O)c1ccccc1
InChIInChI=1S/C10H12O.C8H8O/c1-8(2)10(11)9-6-4-3-5-7-9;1-7(9)8-5-3-2-4-6-8/h3-8H,1-2H3;2-6H,1H3
InChIKeyZHUWJAUNZFNNPK-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-phenylpropan-1-one;2-methylprop-2-enoic acid
CID 175602127
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
3-hydroxybutan-2-one;1-phenylethanone
CID 70281576
CID 22025249
CID 22025249
1-phenylethanone;hydrate;hydrochloride
CID 21258111
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741
ethane;molecular hydrogen;1-phenylethanone
CID 143067772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpropan-1-one;1-phenylethanone?
The IUPAC name of 2-methyl-1-phenylpropan-1-one;1-phenylethanone (CID 162124258) is 2-methyl-1-phenylpropan-1-one;1-phenylethanone.
What is the SMILES notation for 2-methyl-1-phenylpropan-1-one;1-phenylethanone?
The canonical SMILES for 2-methyl-1-phenylpropan-1-one;1-phenylethanone is CC(=O)c1ccccc1.CC(C)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylpropan-1-one;1-phenylethanone?
The InChIKey is ZHUWJAUNZFNNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C8H8O/c1-8(2)10(11)9-6-4-3-5-7-9;1-7(9)8-5-3-2-4-6-8/h3-8H,1-2H3;2-6H,1H3.
What are the key properties of 2-methyl-1-phenylpropan-1-one;1-phenylethanone?
2-methyl-1-phenylpropan-1-one;1-phenylethanone has a molecular weight of 268.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpropan-1-one;1-phenylethanone is sourced from PubChem (CID 162124258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).