CID 59762583

C14H9O3 — CID 59762583

IUPAC—
SMILES[O]c1c2c(O)cccc2cc2cccc(O)c12
InChIInChI=1S/C14H9O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-16H
InChIKeyCPXZLMYENSXLIP-UHFFFAOYSA-N
MW225.22 g/mol
LogP3.55
Rot. Bonds

About CID 59762583

CID 59762583 (PubChem CID 59762583) has the molecular formula C14H9O3 and a molecular weight of 225.22 g/mol.

Molecular Properties

Compound NameCID 59762583
PubChem CID59762583
Molecular FormulaC14H9O3
Molecular Weight225.22 g/mol
Exact Mass225.06
IUPAC Name—
SMILES[O]c1c2c(O)cccc2cc2cccc(O)c12
InChIInChI=1S/C14H9O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-16H
InChIKeyCPXZLMYENSXLIP-UHFFFAOYSA-N
XLogP3.55
TPSA60.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59762583?
The IUPAC name of CID 59762583 (CID 59762583) is not available.
What is the SMILES notation for CID 59762583?
The canonical SMILES for CID 59762583 is [O]c1c2c(O)cccc2cc2cccc(O)c12.
What is the InChIKey of CID 59762583?
The InChIKey is CPXZLMYENSXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-7,15-16H.
What are the key properties of CID 59762583?
CID 59762583 has a molecular weight of 225.22 g/mol, XLogP of 3.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59762583 is sourced from PubChem (CID 59762583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).