anthracen-9-ylmethyloxidanium

C15H13O+ — CID 143222944

IUPACanthracen-9-ylmethyloxidanium
SMILES[OH2+]Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2/p+1
InChIKeyJCJNNHDZTLRSGN-UHFFFAOYSA-O
MW209.27 g/mol
LogP3.22
Rot. Bonds1

About anthracen-9-ylmethyloxidanium

anthracen-9-ylmethyloxidanium (PubChem CID 143222944) has the molecular formula C15H13O+ and a molecular weight of 209.27 g/mol. Its IUPAC name is anthracen-9-ylmethyloxidanium.

Molecular Properties

Compound Nameanthracen-9-ylmethyloxidanium
PubChem CID143222944
Molecular FormulaC15H13O+
Molecular Weight209.27 g/mol
Exact Mass209.10
IUPAC Nameanthracen-9-ylmethyloxidanium
SMILES[OH2+]Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2/p+1
InChIKeyJCJNNHDZTLRSGN-UHFFFAOYSA-O
XLogP3.22
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
CID 12570915
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
3-anthracen-9-ylpropylphosphane
CID 155025823
4-anthracen-9-ylbutylphosphane
CID 155025786
naphtho[1,2-b]phenanthrene
CID 5889
anthracene;naphthalene;phenanthrene
CID 158591187
3-anthracen-9-ylpropanenitrile
CID 14069397
1-anthracen-9-ylpropan-2-ol
CID 19889136
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyloxidanium?
The IUPAC name of anthracen-9-ylmethyloxidanium (CID 143222944) is anthracen-9-ylmethyloxidanium.
What is the SMILES notation for anthracen-9-ylmethyloxidanium?
The canonical SMILES for anthracen-9-ylmethyloxidanium is [OH2+]Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyloxidanium?
The InChIKey is JCJNNHDZTLRSGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2/p+1.
What are the key properties of anthracen-9-ylmethyloxidanium?
anthracen-9-ylmethyloxidanium has a molecular weight of 209.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyloxidanium is sourced from PubChem (CID 143222944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).