naphthalene-2,3-diol;titanium

C10H8O2Ti — CID 87616563

IUPACnaphthalene-2,3-diol;titanium
SMILESOc1cc2ccccc2cc1O.[Ti]
InChIInChI=1S/C10H8O2.Ti/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6,11-12H;
InChIKeyMFIHVODDPUXRFY-UHFFFAOYSA-N
MW208.04 g/mol
LogP2.25
Rot. Bonds

About naphthalene-2,3-diol;titanium

naphthalene-2,3-diol;titanium (PubChem CID 87616563) has the molecular formula C10H8O2Ti and a molecular weight of 208.04 g/mol. Its IUPAC name is naphthalene-2,3-diol;titanium.

Molecular Properties

Compound Namenaphthalene-2,3-diol;titanium
PubChem CID87616563
Molecular FormulaC10H8O2Ti
Molecular Weight208.04 g/mol
Exact Mass208.00
IUPAC Namenaphthalene-2,3-diol;titanium
SMILESOc1cc2ccccc2cc1O.[Ti]
InChIInChI=1S/C10H8O2.Ti/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6,11-12H;
InChIKeyMFIHVODDPUXRFY-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 52.25
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'}

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Frequently Asked Questions

What is the IUPAC name of naphthalene-2,3-diol;titanium?
The IUPAC name of naphthalene-2,3-diol;titanium (CID 87616563) is naphthalene-2,3-diol;titanium.
What is the SMILES notation for naphthalene-2,3-diol;titanium?
The canonical SMILES for naphthalene-2,3-diol;titanium is Oc1cc2ccccc2cc1O.[Ti].
What is the InChIKey of naphthalene-2,3-diol;titanium?
The InChIKey is MFIHVODDPUXRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.Ti/c11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-6,11-12H;.
What are the key properties of naphthalene-2,3-diol;titanium?
naphthalene-2,3-diol;titanium has a molecular weight of 208.04 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,3-diol;titanium is sourced from PubChem (CID 87616563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).