(5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride

C26H22Cl2O3Ti-2 — CID 19351806

IUPAC(5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride
SMILESCc1ccc(C=[Ti])o1.Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-]
InChIInChI=1S/2C10H8O.C6H6O.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-3-4-6(2)7-5;;;/h2*1-7,11H;1,3-4H,2H3;2*1H;/p-2
InChIKeyHZTGKGAKHTZSLI-UHFFFAOYSA-L
MW501.23 g/mol
LogP0.38
Rot. Bonds1

About (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride

(5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride (PubChem CID 19351806) has the molecular formula C26H22Cl2O3Ti-2 and a molecular weight of 501.23 g/mol. Its IUPAC name is (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride.

Molecular Properties

Compound Name(5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride
PubChem CID19351806
Molecular FormulaC26H22Cl2O3Ti-2
Molecular Weight501.23 g/mol
Exact Mass500.04
IUPAC Name(5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride
SMILESCc1ccc(C=[Ti])o1.Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-]
InChIInChI=1S/2C10H8O.C6H6O.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-3-4-6(2)7-5;;;/h2*1-7,11H;1,3-4H,2H3;2*1H;/p-2
InChIKeyHZTGKGAKHTZSLI-UHFFFAOYSA-L
XLogP0.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride 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 (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride?
The IUPAC name of (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride (CID 19351806) is (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride.
What is the SMILES notation for (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride?
The canonical SMILES for (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride is Cc1ccc(C=[Ti])o1.Oc1cccc2ccccc12.Oc1cccc2ccccc12.[Cl-].[Cl-].
What is the InChIKey of (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride?
The InChIKey is HZTGKGAKHTZSLI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8O.C6H6O.2ClH.Ti/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-5-3-4-6(2)7-5;;;/h2*1-7,11H;1,3-4H,2H3;2*1H;/p-2.
What are the key properties of (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride?
(5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride has a molecular weight of 501.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)methylidenetitanium;bis(naphthalen-1-ol);dichloride is sourced from PubChem (CID 19351806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).