2-phenanthren-3-yloxolane-2-carboxylic acid

C19H16O3 — CID 174777759

IUPAC2-phenanthren-3-yloxolane-2-carboxylic acid
SMILESO=C(O)C1(c2ccc3ccc4ccccc4c3c2)CCCO1
InChIInChI=1S/C19H16O3/c20-18(21)19(10-3-11-22-19)15-9-8-14-7-6-13-4-1-2-5-16(13)17(14)12-15/h1-2,4-9,12H,3,10-11H2,(H,20,21)
InChIKeyPCJYAFKCENAPCK-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.08
Rot. Bonds2

About 2-phenanthren-3-yloxolane-2-carboxylic acid

2-phenanthren-3-yloxolane-2-carboxylic acid (PubChem CID 174777759) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-phenanthren-3-yloxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-phenanthren-3-yloxolane-2-carboxylic acid
PubChem CID174777759
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name2-phenanthren-3-yloxolane-2-carboxylic acid
SMILESO=C(O)C1(c2ccc3ccc4ccccc4c3c2)CCCO1
InChIInChI=1S/C19H16O3/c20-18(21)19(10-3-11-22-19)15-9-8-14-7-6-13-4-1-2-5-16(13)17(14)12-15/h1-2,4-9,12H,3,10-11H2,(H,20,21)
InChIKeyPCJYAFKCENAPCK-UHFFFAOYSA-N
XLogP4.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-phenanthren-3-yloxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-3-yloxolane-2-carboxylic acid?
The IUPAC name of 2-phenanthren-3-yloxolane-2-carboxylic acid (CID 174777759) is 2-phenanthren-3-yloxolane-2-carboxylic acid.
What is the SMILES notation for 2-phenanthren-3-yloxolane-2-carboxylic acid?
The canonical SMILES for 2-phenanthren-3-yloxolane-2-carboxylic acid is O=C(O)C1(c2ccc3ccc4ccccc4c3c2)CCCO1.
What is the InChIKey of 2-phenanthren-3-yloxolane-2-carboxylic acid?
The InChIKey is PCJYAFKCENAPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-18(21)19(10-3-11-22-19)15-9-8-14-7-6-13-4-1-2-5-16(13)17(14)12-15/h1-2,4-9,12H,3,10-11H2,(H,20,21).
What are the key properties of 2-phenanthren-3-yloxolane-2-carboxylic acid?
2-phenanthren-3-yloxolane-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-3-yloxolane-2-carboxylic acid is sourced from PubChem (CID 174777759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).