5-hydroxy-1-phenyldodecan-3-one

C18H28O2 — CID 137432120

IUPAC5-hydroxy-1-phenyldodecan-3-one
SMILESCCCCCCCC(O)CC(=O)CCc1ccccc1
InChIInChI=1S/C18H28O2/c1-2-3-4-5-9-12-17(19)15-18(20)14-13-16-10-7-6-8-11-16/h6-8,10-11,17,19H,2-5,9,12-15H2,1H3
InChIKeyXMYMWPMTNYNCLZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.30
Rot. Bonds11

About 5-hydroxy-1-phenyldodecan-3-one

5-hydroxy-1-phenyldodecan-3-one (PubChem CID 137432120) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-hydroxy-1-phenyldodecan-3-one.

Molecular Properties

Compound Name5-hydroxy-1-phenyldodecan-3-one
PubChem CID137432120
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name5-hydroxy-1-phenyldodecan-3-one
SMILESCCCCCCCC(O)CC(=O)CCc1ccccc1
InChIInChI=1S/C18H28O2/c1-2-3-4-5-9-12-17(19)15-18(20)14-13-16-10-7-6-8-11-16/h6-8,10-11,17,19H,2-5,9,12-15H2,1H3
InChIKeyXMYMWPMTNYNCLZ-UHFFFAOYSA-N
XLogP4.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.30
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 5-hydroxy-1-phenyldodecan-3-one?
The IUPAC name of 5-hydroxy-1-phenyldodecan-3-one (CID 137432120) is 5-hydroxy-1-phenyldodecan-3-one.
What is the SMILES notation for 5-hydroxy-1-phenyldodecan-3-one?
The canonical SMILES for 5-hydroxy-1-phenyldodecan-3-one is CCCCCCCC(O)CC(=O)CCc1ccccc1.
What is the InChIKey of 5-hydroxy-1-phenyldodecan-3-one?
The InChIKey is XMYMWPMTNYNCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-2-3-4-5-9-12-17(19)15-18(20)14-13-16-10-7-6-8-11-16/h6-8,10-11,17,19H,2-5,9,12-15H2,1H3.
What are the key properties of 5-hydroxy-1-phenyldodecan-3-one?
5-hydroxy-1-phenyldodecan-3-one has a molecular weight of 276.42 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-phenyldodecan-3-one is sourced from PubChem (CID 137432120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).