1H-inden-2-ol;titanium

C9H8OTi — CID 174394573

IUPAC1H-inden-2-ol;titanium
SMILESOC1=Cc2ccccc2C1.[Ti]
InChIInChI=1S/C9H8O.Ti/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-5,10H,6H2;
InChIKeyNLQZEYTUFGMGIO-UHFFFAOYSA-N
MW180.03 g/mol
LogP2.14
Rot. Bonds

About 1H-inden-2-ol;titanium

1H-inden-2-ol;titanium (PubChem CID 174394573) has the molecular formula C9H8OTi and a molecular weight of 180.03 g/mol. Its IUPAC name is 1H-inden-2-ol;titanium.

Molecular Properties

Compound Name1H-inden-2-ol;titanium
PubChem CID174394573
Molecular FormulaC9H8OTi
Molecular Weight180.03 g/mol
Exact Mass180.01
IUPAC Name1H-inden-2-ol;titanium
SMILESOC1=Cc2ccccc2C1.[Ti]
InChIInChI=1S/C9H8O.Ti/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-5,10H,6H2;
InChIKeyNLQZEYTUFGMGIO-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.03
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

hydron;1H-inden-2-ol
CID 174469237
1H-inden-2-ylsilane
CID 137327560
CID 143131255
CID 143131255
ethane;2-methyl-1H-indene
CID 54388135
1H-inden-2-ylboronic acid
CID 10942739
3-hydroxy-2H-naphthalen-1-one
CID 135798697
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
3-hydroxy-1H-isoquinoline-2-carbaldehyde
CID 151831457
2-methylselanyl-1H-indene
CID 11041997
3-(1H-inden-2-yl)-1H-inden-2-ol
CID 20693143
2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride
CID 22726390

Frequently Asked Questions

What is the IUPAC name of 1H-inden-2-ol;titanium?
The IUPAC name of 1H-inden-2-ol;titanium (CID 174394573) is 1H-inden-2-ol;titanium.
What is the SMILES notation for 1H-inden-2-ol;titanium?
The canonical SMILES for 1H-inden-2-ol;titanium is OC1=Cc2ccccc2C1.[Ti].
What is the InChIKey of 1H-inden-2-ol;titanium?
The InChIKey is NLQZEYTUFGMGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.Ti/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-5,10H,6H2;.
What are the key properties of 1H-inden-2-ol;titanium?
1H-inden-2-ol;titanium has a molecular weight of 180.03 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-2-ol;titanium is sourced from PubChem (CID 174394573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).