1-hydroxy-1-phenylundecan-2-one

C17H26O2 — CID 57394985

IUPAC1-hydroxy-1-phenylundecan-2-one
SMILESCCCCCCCCCC(=O)C(O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-11-14-16(18)17(19)15-12-9-8-10-13-15/h8-10,12-13,17,19H,2-7,11,14H2,1H3
InChIKeyXHYDGAXXAQAUAD-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.43
Rot. Bonds10

About 1-hydroxy-1-phenylundecan-2-one

1-hydroxy-1-phenylundecan-2-one (PubChem CID 57394985) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-hydroxy-1-phenylundecan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-phenylundecan-2-one
PubChem CID57394985
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-hydroxy-1-phenylundecan-2-one
SMILESCCCCCCCCCC(=O)C(O)c1ccccc1
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-11-14-16(18)17(19)15-12-9-8-10-13-15/h8-10,12-13,17,19H,2-7,11,14H2,1H3
InChIKeyXHYDGAXXAQAUAD-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-phenylundecan-2-one?
The IUPAC name of 1-hydroxy-1-phenylundecan-2-one (CID 57394985) is 1-hydroxy-1-phenylundecan-2-one.
What is the SMILES notation for 1-hydroxy-1-phenylundecan-2-one?
The canonical SMILES for 1-hydroxy-1-phenylundecan-2-one is CCCCCCCCCC(=O)C(O)c1ccccc1.
What is the InChIKey of 1-hydroxy-1-phenylundecan-2-one?
The InChIKey is XHYDGAXXAQAUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-4-5-6-7-11-14-16(18)17(19)15-12-9-8-10-13-15/h8-10,12-13,17,19H,2-7,11,14H2,1H3.
What are the key properties of 1-hydroxy-1-phenylundecan-2-one?
1-hydroxy-1-phenylundecan-2-one has a molecular weight of 262.39 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-phenylundecan-2-one is sourced from PubChem (CID 57394985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).