anthracene;ethanol;titanium

C16H16OTi — CID 160763576

IUPACanthracene;ethanol;titanium
SMILESCCO.[Ti].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C2H6O.Ti/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-3;/h1-10H;3H,2H2,1H3;
InChIKeyOAGQCBPGAVJCBL-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.99
Rot. Bonds

About anthracene;ethanol;titanium

anthracene;ethanol;titanium (PubChem CID 160763576) has the molecular formula C16H16OTi and a molecular weight of 272.17 g/mol. Its IUPAC name is anthracene;ethanol;titanium.

Molecular Properties

Compound Nameanthracene;ethanol;titanium
PubChem CID160763576
Molecular FormulaC16H16OTi
Molecular Weight272.17 g/mol
Exact Mass272.07
IUPAC Nameanthracene;ethanol;titanium
SMILESCCO.[Ti].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C2H6O.Ti/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-3;/h1-10H;3H,2H2,1H3;
InChIKeyOAGQCBPGAVJCBL-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracene;ethanol;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

ethanol;naphthalene
CID 91408804
anthracene;ethane-1,2-diol
CID 158405305
anthracene;hexan-1-ol
CID 174457209
benzene;methanol;naphthalene;propane
CID 159585555
anthracene;(E)-hex-3-ene;propane
CID 144562643
anthracene;ethane;naphthalene
CID 159079166
ethane;naphthalene;propane
CID 158972865
ethane;pentacene
CID 91470616
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141

Frequently Asked Questions

What is the IUPAC name of anthracene;ethanol;titanium?
The IUPAC name of anthracene;ethanol;titanium (CID 160763576) is anthracene;ethanol;titanium.
What is the SMILES notation for anthracene;ethanol;titanium?
The canonical SMILES for anthracene;ethanol;titanium is CCO.[Ti].c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;ethanol;titanium?
The InChIKey is OAGQCBPGAVJCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C2H6O.Ti/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-3;/h1-10H;3H,2H2,1H3;.
What are the key properties of anthracene;ethanol;titanium?
anthracene;ethanol;titanium has a molecular weight of 272.17 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;ethanol;titanium is sourced from PubChem (CID 160763576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).