chromen-2-one;tetradecanoic acid

C23H34O4 — CID 175211555

IUPACchromen-2-one;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=c1ccc2ccccc2o1
InChIInChI=1S/C14H28O2.C9H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;10-9-6-5-7-3-1-2-4-8(7)11-9/h2-13H2,1H3,(H,15,16);1-6H
InChIKeyUXTGOAAUFKSIKX-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.57
Rot. Bonds12

About chromen-2-one;tetradecanoic acid

chromen-2-one;tetradecanoic acid (PubChem CID 175211555) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is chromen-2-one;tetradecanoic acid.

Molecular Properties

Compound Namechromen-2-one;tetradecanoic acid
PubChem CID175211555
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Namechromen-2-one;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=c1ccc2ccccc2o1
InChIInChI=1S/C14H28O2.C9H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;10-9-6-5-7-3-1-2-4-8(7)11-9/h2-13H2,1H3,(H,15,16);1-6H
InChIKeyUXTGOAAUFKSIKX-UHFFFAOYSA-N
XLogP6.57
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromen-2-one;tetradecanoic acid?
The IUPAC name of chromen-2-one;tetradecanoic acid (CID 175211555) is chromen-2-one;tetradecanoic acid.
What is the SMILES notation for chromen-2-one;tetradecanoic acid?
The canonical SMILES for chromen-2-one;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.O=c1ccc2ccccc2o1.
What is the InChIKey of chromen-2-one;tetradecanoic acid?
The InChIKey is UXTGOAAUFKSIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C9H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;10-9-6-5-7-3-1-2-4-8(7)11-9/h2-13H2,1H3,(H,15,16);1-6H.
What are the key properties of chromen-2-one;tetradecanoic acid?
chromen-2-one;tetradecanoic acid has a molecular weight of 374.52 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-2-one;tetradecanoic acid is sourced from PubChem (CID 175211555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).