dichloromethanol;titanium

CH2Cl2OTi — CID 150712352

IUPACdichloromethanol;titanium
SMILESOC(Cl)Cl.[Ti]
InChIInChI=1S/CH2Cl2O.Ti/c2-1(3)4;/h1,4H;
InChIKeyDNFDFXISBRGLRG-UHFFFAOYSA-N
MW148.80 g/mol
LogP0.74
Rot. Bonds

About dichloromethanol;titanium

dichloromethanol;titanium (PubChem CID 150712352) has the molecular formula CH2Cl2OTi and a molecular weight of 148.80 g/mol. Its IUPAC name is dichloromethanol;titanium.

Molecular Properties

Compound Namedichloromethanol;titanium
PubChem CID150712352
Molecular FormulaCH2Cl2OTi
Molecular Weight148.80 g/mol
Exact Mass147.90
IUPAC Namedichloromethanol;titanium
SMILESOC(Cl)Cl.[Ti]
InChIInChI=1S/CH2Cl2O.Ti/c2-1(3)4;/h1,4H;
InChIKeyDNFDFXISBRGLRG-UHFFFAOYSA-N
XLogP0.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.80
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dichloromethanol;titanium 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

dichloromethanol;hydrate
CID 90388794
chloroform;propan-2-ol
CID 173195035
hypochlorous acid;bis(propan-2-ol);titanium
CID 88685410
dichloro-hydroxy-propan-2-ylphosphanium
CID 88598188
[chloro(hydroxy)methyl] hypochlorite
CID 170558121
chloroform;oxalonitrile;hydrobromide
CID 88658029
(1S)-1-chloropropane-1,2-diol
CID 57125002
chloroform;methanol
CID 173018799
chloroform;methanol
CID 173309675
propan-2-ol;titanium
CID 25200171
1-chloroethanol;N,N-dimethylmethanamine
CID 87179107
chloroform;methanol;propan-2-ol;hydrate
CID 159908806

Frequently Asked Questions

What is the IUPAC name of dichloromethanol;titanium?
The IUPAC name of dichloromethanol;titanium (CID 150712352) is dichloromethanol;titanium.
What is the SMILES notation for dichloromethanol;titanium?
The canonical SMILES for dichloromethanol;titanium is OC(Cl)Cl.[Ti].
What is the InChIKey of dichloromethanol;titanium?
The InChIKey is DNFDFXISBRGLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2O.Ti/c2-1(3)4;/h1,4H;.
What are the key properties of dichloromethanol;titanium?
dichloromethanol;titanium has a molecular weight of 148.80 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethanol;titanium is sourced from PubChem (CID 150712352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).