2-(3-phenylpropyl)cyclotetradecan-1-one

C23H36O — CID 140989755

IUPAC2-(3-phenylpropyl)cyclotetradecan-1-one
SMILESO=C1CCCCCCCCCCCCC1CCCc1ccccc1
InChIInChI=1S/C23H36O/c24-23-20-13-8-6-4-2-1-3-5-7-12-18-22(23)19-14-17-21-15-10-9-11-16-21/h9-11,15-16,22H,1-8,12-14,17-20H2
InChIKeyDBSPSMVPUUAVFX-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.89
Rot. Bonds4

About 2-(3-phenylpropyl)cyclotetradecan-1-one

2-(3-phenylpropyl)cyclotetradecan-1-one (PubChem CID 140989755) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-(3-phenylpropyl)cyclotetradecan-1-one.

Molecular Properties

Compound Name2-(3-phenylpropyl)cyclotetradecan-1-one
PubChem CID140989755
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name2-(3-phenylpropyl)cyclotetradecan-1-one
SMILESO=C1CCCCCCCCCCCCC1CCCc1ccccc1
InChIInChI=1S/C23H36O/c24-23-20-13-8-6-4-2-1-3-5-7-12-18-22(23)19-14-17-21-15-10-9-11-16-21/h9-11,15-16,22H,1-8,12-14,17-20H2
InChIKeyDBSPSMVPUUAVFX-UHFFFAOYSA-N
XLogP6.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one
CID 141155106
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
2-(2-phenylmethoxyethyl)cyclohexan-1-one
CID 561952
1,1'-biphenyl;2-pentylcyclohexan-1-one
CID 174847446
2-(3-oxo-3-phenylpropyl)cycloheptan-1-one
CID 10824211
(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
CID 134922324
2-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-one
CID 110176147
N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide
CID 171989434
2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 2751330
2-[(2-phenylethylamino)methyl]cyclopentan-1-one
CID 57039935
(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 712460
4-(2-oxocyclohexyl)butanoic acid
CID 10559385

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)cyclotetradecan-1-one?
The IUPAC name of 2-(3-phenylpropyl)cyclotetradecan-1-one (CID 140989755) is 2-(3-phenylpropyl)cyclotetradecan-1-one.
What is the SMILES notation for 2-(3-phenylpropyl)cyclotetradecan-1-one?
The canonical SMILES for 2-(3-phenylpropyl)cyclotetradecan-1-one is O=C1CCCCCCCCCCCCC1CCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)cyclotetradecan-1-one?
The InChIKey is DBSPSMVPUUAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O/c24-23-20-13-8-6-4-2-1-3-5-7-12-18-22(23)19-14-17-21-15-10-9-11-16-21/h9-11,15-16,22H,1-8,12-14,17-20H2.
What are the key properties of 2-(3-phenylpropyl)cyclotetradecan-1-one?
2-(3-phenylpropyl)cyclotetradecan-1-one has a molecular weight of 328.54 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)cyclotetradecan-1-one is sourced from PubChem (CID 140989755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).