2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride

C14H12Cl2Ti — CID 175436495

IUPAC2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride
SMILESCC1=Cc2ccc3ccccc3c2C1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C14H12.2ClH.Ti/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;;;/h2-8H,9H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyOXPRRQLRWDSYFB-UHFFFAOYSA-L
MW299.02 g/mol
LogP-2.20
Rot. Bonds

About 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride

2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride (PubChem CID 175436495) has the molecular formula C14H12Cl2Ti and a molecular weight of 299.02 g/mol. Its IUPAC name is 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride.

Molecular Properties

Compound Name2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride
PubChem CID175436495
Molecular FormulaC14H12Cl2Ti
Molecular Weight299.02 g/mol
Exact Mass297.98
IUPAC Name2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride
SMILESCC1=Cc2ccc3ccccc3c2C1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C14H12.2ClH.Ti/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;;;/h2-8H,9H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyOXPRRQLRWDSYFB-UHFFFAOYSA-L
XLogP-2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.02
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 172736584
CID 172736584
dimethylsilicon(2+);hafnium(4+);2-methyl-1H-cyclopenta[a]naphthalene;2-methyl-2H-cyclopenta[g][1]benzofuran;dichloride
CID 158805387
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
1-(2-methyl-1H-inden-5-yl)naphthalene
CID 54474031
5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene
CID 87823767
12H-naphtho[1,2-g][1,2]benzoxazine
CID 67117305
phenanthrene;toluene
CID 158347700
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-phenalene
CID 71398400
1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene
CID 57131873
8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 159418774
N-ethyl-N-methyl-15H-cyclopenta[a]phenanthrene-16-carboxamide
CID 142945086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride?
The IUPAC name of 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride (CID 175436495) is 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride.
What is the SMILES notation for 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride?
The canonical SMILES for 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride is CC1=Cc2ccc3ccccc3c2C1.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride?
The InChIKey is OXPRRQLRWDSYFB-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12.2ClH.Ti/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;;;/h2-8H,9H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride?
2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride has a molecular weight of 299.02 g/mol, XLogP of -2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-cyclopenta[a]naphthalene;titanium(2+);dichloride is sourced from PubChem (CID 175436495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).