cyclopentane;phenylmethanol;titanium

C26H34O3Ti — CID 23229026

IUPACcyclopentane;phenylmethanol;titanium
SMILESC1CCCC1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.[Ti]
InChIInChI=1S/3C7H8O.C5H10.Ti/c3*8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h3*1-5,8H,6H2;1-5H2;
InChIKeyVWDHGLMSNGYCOG-UHFFFAOYSA-N
MW442.42 g/mol
LogP5.48
Rot. Bonds3

About cyclopentane;phenylmethanol;titanium

cyclopentane;phenylmethanol;titanium (PubChem CID 23229026) has the molecular formula C26H34O3Ti and a molecular weight of 442.42 g/mol. Its IUPAC name is cyclopentane;phenylmethanol;titanium.

Molecular Properties

Compound Namecyclopentane;phenylmethanol;titanium
PubChem CID23229026
Molecular FormulaC26H34O3Ti
Molecular Weight442.42 g/mol
Exact Mass442.20
IUPAC Namecyclopentane;phenylmethanol;titanium
SMILESC1CCCC1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.[Ti]
InChIInChI=1S/3C7H8O.C5H10.Ti/c3*8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h3*1-5,8H,6H2;1-5H2;
InChIKeyVWDHGLMSNGYCOG-UHFFFAOYSA-N
XLogP5.48
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.42
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Triphenylcarbinol
CID 6457
1,1,2-Triphenylethanol
CID 245013
alpha-Phenyl[1,1'-biphenyl]-4-methanol
CID 95512
Tribenzyl borate
CID 17179
1,1,2-Triphenyl-1,2-ethanediol
CID 95527
trans-1,3-Diphenyl-2-propen-1-ol
CID 5712032
1,2,3-Triphenyl-2-propanol
CID 231530
(Diphenylphosphoryl)(phenyl)methanol
CID 608529
Benzenemethanol, alpha,alpha'-((phenylmethyl)phosphinylidene)bis-
CID 98540
Cinnamyl alcohol, alpha,alpha-diphenyl-
CID 6156676
1,1,3-Triphenyl-propan-1-OL
CID 4070833
trans-4-Stilbenemethanol
CID 5803359

Frequently Asked Questions

What is the IUPAC name of cyclopentane;phenylmethanol;titanium?
The IUPAC name of cyclopentane;phenylmethanol;titanium (CID 23229026) is cyclopentane;phenylmethanol;titanium.
What is the SMILES notation for cyclopentane;phenylmethanol;titanium?
The canonical SMILES for cyclopentane;phenylmethanol;titanium is C1CCCC1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.[Ti].
What is the InChIKey of cyclopentane;phenylmethanol;titanium?
The InChIKey is VWDHGLMSNGYCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H8O.C5H10.Ti/c3*8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h3*1-5,8H,6H2;1-5H2;.
What are the key properties of cyclopentane;phenylmethanol;titanium?
cyclopentane;phenylmethanol;titanium has a molecular weight of 442.42 g/mol, XLogP of 5.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;phenylmethanol;titanium is sourced from PubChem (CID 23229026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).