ethane;1-(4-phenylphenyl)ethanone

C18H24O — CID 123256888

IUPACethane;1-(4-phenylphenyl)ethanone
SMILESCC.CC.CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12O.2C2H6/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;2*1-2/h2-10H,1H3;2*1-2H3
InChIKeyALWDLRNKBZUTKY-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.61
Rot. Bonds2

About ethane;1-(4-phenylphenyl)ethanone

ethane;1-(4-phenylphenyl)ethanone (PubChem CID 123256888) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-phenylphenyl)ethanone
PubChem CID123256888
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Nameethane;1-(4-phenylphenyl)ethanone
SMILESCC.CC.CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12O.2C2H6/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;2*1-2/h2-10H,1H3;2*1-2H3
InChIKeyALWDLRNKBZUTKY-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
ethane;molecular hydrogen;1-phenylethanone
CID 143067772
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
1-(4-methylphenyl)ethanone;phenylboronic acid;1-(4-phenylphenyl)ethanone
CID 165094537
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CID 70488357
lithium 1-phenylethanone
CID 22269591

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-phenylphenyl)ethanone?
The IUPAC name of ethane;1-(4-phenylphenyl)ethanone (CID 123256888) is ethane;1-(4-phenylphenyl)ethanone.
What is the SMILES notation for ethane;1-(4-phenylphenyl)ethanone?
The canonical SMILES for ethane;1-(4-phenylphenyl)ethanone is CC.CC.CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethane;1-(4-phenylphenyl)ethanone?
The InChIKey is ALWDLRNKBZUTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.2C2H6/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;2*1-2/h2-10H,1H3;2*1-2H3.
What are the key properties of ethane;1-(4-phenylphenyl)ethanone?
ethane;1-(4-phenylphenyl)ethanone has a molecular weight of 256.39 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 123256888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).