2-phenanthridin-1-ylacetic acid

C15H11NO2 — CID 141175956

IUPAC2-phenanthridin-1-ylacetic acid
SMILESO=C(O)Cc1cccc2ncc3ccccc3c12
InChIInChI=1S/C15H11NO2/c17-14(18)8-10-5-3-7-13-15(10)12-6-2-1-4-11(12)9-16-13/h1-7,9H,8H2,(H,17,18)
InChIKeyIDUJZHUSGWVZMM-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.02
Rot. Bonds2

About 2-phenanthridin-1-ylacetic acid

2-phenanthridin-1-ylacetic acid (PubChem CID 141175956) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-phenanthridin-1-ylacetic acid.

Molecular Properties

Compound Name2-phenanthridin-1-ylacetic acid
PubChem CID141175956
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-phenanthridin-1-ylacetic acid
SMILESO=C(O)Cc1cccc2ncc3ccccc3c12
InChIInChI=1S/C15H11NO2/c17-14(18)8-10-5-3-7-13-15(10)12-6-2-1-4-11(12)9-16-13/h1-7,9H,8H2,(H,17,18)
InChIKeyIDUJZHUSGWVZMM-UHFFFAOYSA-N
XLogP3.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethyl)phenanthridine
CID 67188154
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
phenanthridine-1-thiol
CID 135666738
diphenanthridin-1-yl (Z)-but-2-enedioate
CID 175422022
1-bromophenanthridine;hydrate
CID 175162345
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide
CID 174826270
1-phenanthridin-6-ylphenanthridine
CID 174646632
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-acridin-9-ylacetic acid
CID 15525099
phenanthridine
CID 9189
1,2-difluorophenanthridine
CID 175109006

Frequently Asked Questions

What is the IUPAC name of 2-phenanthridin-1-ylacetic acid?
The IUPAC name of 2-phenanthridin-1-ylacetic acid (CID 141175956) is 2-phenanthridin-1-ylacetic acid.
What is the SMILES notation for 2-phenanthridin-1-ylacetic acid?
The canonical SMILES for 2-phenanthridin-1-ylacetic acid is O=C(O)Cc1cccc2ncc3ccccc3c12.
What is the InChIKey of 2-phenanthridin-1-ylacetic acid?
The InChIKey is IDUJZHUSGWVZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-14(18)8-10-5-3-7-13-15(10)12-6-2-1-4-11(12)9-16-13/h1-7,9H,8H2,(H,17,18).
What are the key properties of 2-phenanthridin-1-ylacetic acid?
2-phenanthridin-1-ylacetic acid has a molecular weight of 237.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthridin-1-ylacetic acid is sourced from PubChem (CID 141175956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).