1,3-bis(2-methylphenyl)-1-phenylpropan-2-one

C23H22O — CID 15504285

IUPAC1,3-bis(2-methylphenyl)-1-phenylpropan-2-one
SMILESCc1ccccc1CC(=O)C(c1ccccc1)c1ccccc1C
InChIInChI=1S/C23H22O/c1-17-10-6-8-14-20(17)16-22(24)23(19-12-4-3-5-13-19)21-15-9-7-11-18(21)2/h3-15,23H,16H2,1-2H3
InChIKeyJMZZYWRGEWHVNU-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.25
Rot. Bonds5

About 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one

1,3-bis(2-methylphenyl)-1-phenylpropan-2-one (PubChem CID 15504285) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1,3-bis(2-methylphenyl)-1-phenylpropan-2-one
PubChem CID15504285
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name1,3-bis(2-methylphenyl)-1-phenylpropan-2-one
SMILESCc1ccccc1CC(=O)C(c1ccccc1)c1ccccc1C
InChIInChI=1S/C23H22O/c1-17-10-6-8-14-20(17)16-22(24)23(19-12-4-3-5-13-19)21-15-9-7-11-18(21)2/h3-15,23H,16H2,1-2H3
InChIKeyJMZZYWRGEWHVNU-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-bromophenyl)-1-(2-methylphenyl)-3-(2,3,5-trifluorophenyl)propan-2-one
CID 123573993
2-(2-methylphenyl)acetic acid
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1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
CID 79307352
4-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116564539
1-(4-tert-butylphenyl)-2-(2-methylphenyl)-2-phenylethanone
CID 3391371
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
3-methyl-4-[(2-methylphenyl)methylsulfanyl]benzoic acid
CID 63513168
1-(2-methylphenyl)-1-phenylpentan-3-one
CID 102348296
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
1,2-bis(2-methylphenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one?
The IUPAC name of 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one (CID 15504285) is 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one.
What is the SMILES notation for 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one?
The canonical SMILES for 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one is Cc1ccccc1CC(=O)C(c1ccccc1)c1ccccc1C.
What is the InChIKey of 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one?
The InChIKey is JMZZYWRGEWHVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-17-10-6-8-14-20(17)16-22(24)23(19-12-4-3-5-13-19)21-15-9-7-11-18(21)2/h3-15,23H,16H2,1-2H3.
What are the key properties of 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one?
1,3-bis(2-methylphenyl)-1-phenylpropan-2-one has a molecular weight of 314.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylphenyl)-1-phenylpropan-2-one is sourced from PubChem (CID 15504285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).