2,2-diphenyltridecan-7-one

C25H34O — CID 91284823

IUPAC2,2-diphenyltridecan-7-one
SMILESCCCCCCC(=O)CCCCC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O/c1-3-4-5-12-19-24(26)20-13-14-21-25(2,22-15-8-6-9-16-22)23-17-10-7-11-18-23/h6-11,15-18H,3-5,12-14,19-21H2,1-2H3
InChIKeyIYOXMQMROKDWBT-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.09
Rot. Bonds12

About 2,2-diphenyltridecan-7-one

2,2-diphenyltridecan-7-one (PubChem CID 91284823) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2,2-diphenyltridecan-7-one.

Molecular Properties

Compound Name2,2-diphenyltridecan-7-one
PubChem CID91284823
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Name2,2-diphenyltridecan-7-one
SMILESCCCCCCC(=O)CCCCC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O/c1-3-4-5-12-19-24(26)20-13-14-21-25(2,22-15-8-6-9-16-22)23-17-10-7-11-18-23/h6-11,15-18H,3-5,12-14,19-21H2,1-2H3
InChIKeyIYOXMQMROKDWBT-UHFFFAOYSA-N
XLogP7.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-phenyloctan-2-yl)phenol
CID 174541966
1,1'-biphenyl;heptadecan-9-one
CID 19613965
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
2-nonyl-2-phenylpropanedioic acid
CID 70554602
1,15-dihydroxy-3,13-dimethyl-3,13-diphenylpentadecan-8-one
CID 23431379
dimethyl 2,14-dimethyl-8-oxo-2,14-diphenylpentadecanedioate
CID 20631202
2-hydroxy-6-methyl-3-(2-phenyldecan-2-yl)benzoic acid
CID 139676721
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829
2-bromo-2-phenylheptanamide
CID 57012582
4-chloro-4-phenyloctadecan-3-one
CID 70425101

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyltridecan-7-one?
The IUPAC name of 2,2-diphenyltridecan-7-one (CID 91284823) is 2,2-diphenyltridecan-7-one.
What is the SMILES notation for 2,2-diphenyltridecan-7-one?
The canonical SMILES for 2,2-diphenyltridecan-7-one is CCCCCCC(=O)CCCCC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyltridecan-7-one?
The InChIKey is IYOXMQMROKDWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-3-4-5-12-19-24(26)20-13-14-21-25(2,22-15-8-6-9-16-22)23-17-10-7-11-18-23/h6-11,15-18H,3-5,12-14,19-21H2,1-2H3.
What are the key properties of 2,2-diphenyltridecan-7-one?
2,2-diphenyltridecan-7-one has a molecular weight of 350.55 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyltridecan-7-one is sourced from PubChem (CID 91284823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).