2-hydroxy-6-phenylundecan-3-one

C17H26O2 — CID 139924429

IUPAC2-hydroxy-6-phenylundecan-3-one
SMILESCCCCCC(CCC(=O)C(C)O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-3-4-6-9-16(12-13-17(19)14(2)18)15-10-7-5-8-11-15/h5,7-8,10-11,14,16,18H,3-4,6,9,12-13H2,1-2H3
InChIKeyGGOZIHZCXSJUHU-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.08
Rot. Bonds9

About 2-hydroxy-6-phenylundecan-3-one

2-hydroxy-6-phenylundecan-3-one (PubChem CID 139924429) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-hydroxy-6-phenylundecan-3-one.

Molecular Properties

Compound Name2-hydroxy-6-phenylundecan-3-one
PubChem CID139924429
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-hydroxy-6-phenylundecan-3-one
SMILESCCCCCC(CCC(=O)C(C)O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-3-4-6-9-16(12-13-17(19)14(2)18)15-10-7-5-8-11-15/h5,7-8,10-11,14,16,18H,3-4,6,9,12-13H2,1-2H3
InChIKeyGGOZIHZCXSJUHU-UHFFFAOYSA-N
XLogP4.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyldodecanoic acid
CID 67722235
11-phenyloctadecanoic acid
CID 101320092
6-phenyloctadecanoic acid
CID 56981512
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357
10-phenyltetradecan-5-ylbenzene
CID 22891787
barium(2+);bis(7-phenyloctadecanoate)
CID 101320086
3-phenylundecan-1-ol
CID 101150144
CID 67584545
CID 67584545
bis(3-phenyldecyl) carbonate
CID 67180027
calcium bis(14-phenyloctadecanoate)
CID 101320116
1,1-diamino-4-phenylhexadecan-2-one
CID 70443579

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-phenylundecan-3-one?
The IUPAC name of 2-hydroxy-6-phenylundecan-3-one (CID 139924429) is 2-hydroxy-6-phenylundecan-3-one.
What is the SMILES notation for 2-hydroxy-6-phenylundecan-3-one?
The canonical SMILES for 2-hydroxy-6-phenylundecan-3-one is CCCCCC(CCC(=O)C(C)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-6-phenylundecan-3-one?
The InChIKey is GGOZIHZCXSJUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-4-6-9-16(12-13-17(19)14(2)18)15-10-7-5-8-11-15/h5,7-8,10-11,14,16,18H,3-4,6,9,12-13H2,1-2H3.
What are the key properties of 2-hydroxy-6-phenylundecan-3-one?
2-hydroxy-6-phenylundecan-3-one has a molecular weight of 262.39 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-phenylundecan-3-one is sourced from PubChem (CID 139924429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).