1,3-diphenyl(213C)propan-2-one

C15H14O — CID 100945080

IUPAC1,3-diphenyl(213C)propan-2-one
SMILESO=[13C](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2/i15+1
InChIKeyYFKBXYGUSOXJGS-XPOOIHDOSA-N
MW211.27 g/mol
LogP3.04
Rot. Bonds4

About 1,3-diphenyl(213C)propan-2-one

1,3-diphenyl(213C)propan-2-one (PubChem CID 100945080) has the molecular formula C15H14O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,3-diphenyl(213C)propan-2-one.

Molecular Properties

Compound Name1,3-diphenyl(213C)propan-2-one
PubChem CID100945080
Molecular FormulaC15H14O
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1,3-diphenyl(213C)propan-2-one
SMILESO=[13C](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2/i15+1
InChIKeyYFKBXYGUSOXJGS-XPOOIHDOSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 167578330
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl(213C)propan-2-one?
The IUPAC name of 1,3-diphenyl(213C)propan-2-one (CID 100945080) is 1,3-diphenyl(213C)propan-2-one.
What is the SMILES notation for 1,3-diphenyl(213C)propan-2-one?
The canonical SMILES for 1,3-diphenyl(213C)propan-2-one is O=[13C](Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3-diphenyl(213C)propan-2-one?
The InChIKey is YFKBXYGUSOXJGS-XPOOIHDOSA-N. The full InChI is InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2/i15+1.
What are the key properties of 1,3-diphenyl(213C)propan-2-one?
1,3-diphenyl(213C)propan-2-one has a molecular weight of 211.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl(213C)propan-2-one is sourced from PubChem (CID 100945080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).