CID 89262500

C14H10Na2O2 — CID 89262500

IUPAC—
SMILESOc1ccc2cc3ccccc3cc2c1O.[Na].[Na]
InChIInChI=1S/C14H10O2.2Na/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16;;/h1-8,15-16H;;
InChIKeyBIRHSIRRXFUWNP-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.64
Rot. Bonds

About CID 89262500

CID 89262500 (PubChem CID 89262500) has the molecular formula C14H10Na2O2 and a molecular weight of 256.21 g/mol.

Molecular Properties

Compound NameCID 89262500
PubChem CID89262500
Molecular FormulaC14H10Na2O2
Molecular Weight256.21 g/mol
Exact Mass256.05
IUPAC Name—
SMILESOc1ccc2cc3ccccc3cc2c1O.[Na].[Na]
InChIInChI=1S/C14H10O2.2Na/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16;;/h1-8,15-16H;;
InChIKeyBIRHSIRRXFUWNP-UHFFFAOYSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracene-1,2,10-triol
CID 11342
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
acetic acid;benzo[a]anthracene-1,2-diol
CID 57354146
heptacen-1-ol
CID 150633624
2-phenylanthracen-1-ol
CID 54315343
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
benzo[a]anthracen-1-ol;methane
CID 88728153
azane;benzo[a]anthracen-1-ol
CID 87178862
CID 157090523
CID 157090523
naphthalene-1,2-diol;naphthalene-1,6-diol
CID 160740349
1-prop-1-enylanthracen-2-ol
CID 88685593
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600

Frequently Asked Questions

What is the IUPAC name of CID 89262500?
The IUPAC name of CID 89262500 (CID 89262500) is not available.
What is the SMILES notation for CID 89262500?
The canonical SMILES for CID 89262500 is Oc1ccc2cc3ccccc3cc2c1O.[Na].[Na].
What is the InChIKey of CID 89262500?
The InChIKey is BIRHSIRRXFUWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.2Na/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16;;/h1-8,15-16H;;.
What are the key properties of CID 89262500?
CID 89262500 has a molecular weight of 256.21 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89262500 is sourced from PubChem (CID 89262500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).