2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride

C19H20Cl2OTi — CID 160957887

IUPAC2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride
SMILESCC1=CC=CC1c1ccc2ccccc2c1C(C)(C)O.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C19H20O.2ClH.Ti/c1-13-7-6-10-15(13)17-12-11-14-8-4-5-9-16(14)18(17)19(2,3)20;;;/h4-12,15,20H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyCAWOJQUYGNNGAN-UHFFFAOYSA-L
MW383.14 g/mol
LogP-1.33
Rot. Bonds2

About 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride

2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride (PubChem CID 160957887) has the molecular formula C19H20Cl2OTi and a molecular weight of 383.14 g/mol. Its IUPAC name is 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride.

Molecular Properties

Compound Name2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride
PubChem CID160957887
Molecular FormulaC19H20Cl2OTi
Molecular Weight383.14 g/mol
Exact Mass382.04
IUPAC Name2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride
SMILESCC1=CC=CC1c1ccc2ccccc2c1C(C)(C)O.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C19H20O.2ClH.Ti/c1-13-7-6-10-15(13)17-12-11-14-8-4-5-9-16(14)18(17)19(2,3)20;;;/h4-12,15,20H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyCAWOJQUYGNNGAN-UHFFFAOYSA-L
XLogP-1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.14
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;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

2-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol
CID 141067164
1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene
CID 174460458
2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol
CID 141067455
1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol
CID 141067090
N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine
CID 154500027
2-methyl-N-[2-[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]propan-2-yl]propan-2-amine
CID 154499995
14H-cyclopenta[a]phenanthrene
CID 18702387
2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
CID 139951457
1-tert-butyl-2-methylnaphthalene
CID 3019593
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
(3R)-3-[2-[(3R)-3H-cyclopenta[a]naphthalen-3-yl]propan-2-yl]-3H-cyclopenta[a]naphthalene
CID 101485883
2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol
CID 18185588

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride?
The IUPAC name of 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride (CID 160957887) is 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride.
What is the SMILES notation for 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride?
The canonical SMILES for 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride is CC1=CC=CC1c1ccc2ccccc2c1C(C)(C)O.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride?
The InChIKey is CAWOJQUYGNNGAN-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H20O.2ClH.Ti/c1-13-7-6-10-15(13)17-12-11-14-8-4-5-9-16(14)18(17)19(2,3)20;;;/h4-12,15,20H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride?
2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride has a molecular weight of 383.14 g/mol, XLogP of -1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride is sourced from PubChem (CID 160957887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).