anthracen-1-ylmethanolate

C15H11O- — CID 57358748

IUPACanthracen-1-ylmethanolate
SMILES[O-]Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11O/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2/q-1
InChIKeyRHZUVFJBSILHOK-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.85
Rot. Bonds1

About anthracen-1-ylmethanolate

anthracen-1-ylmethanolate (PubChem CID 57358748) has the molecular formula C15H11O- and a molecular weight of 207.25 g/mol. Its IUPAC name is anthracen-1-ylmethanolate.

Molecular Properties

Compound Nameanthracen-1-ylmethanolate
PubChem CID57358748
Molecular FormulaC15H11O-
Molecular Weight207.25 g/mol
Exact Mass207.08
IUPAC Nameanthracen-1-ylmethanolate
SMILES[O-]Cc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11O/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2/q-1
InChIKeyRHZUVFJBSILHOK-UHFFFAOYSA-N
XLogP2.85
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 173167056
CID 173167056
1-(chloromethyl)anthracene
CID 18004230
O-(anthracen-1-ylmethyl)hydroxylamine
CID 14420766
1-(2,2-difluoroethyl)anthracene
CID 58435964
3-anthracen-1-ylpropane-1,2-diol
CID 175541377
1-(cyclononylmethyl)anthracene
CID 173272600
1-prop-2-enyltetracene
CID 162689403
1-(phenoxymethyl)anthracene
CID 18517350
2-tetracen-1-ylacetamide
CID 139927285
1-ethylanthracene;formic acid
CID 175485335
4-tetracen-1-ylbutan-1-ol
CID 87369368
anthracen-1-ylmethyl formate
CID 54364674

Frequently Asked Questions

What is the IUPAC name of anthracen-1-ylmethanolate?
The IUPAC name of anthracen-1-ylmethanolate (CID 57358748) is anthracen-1-ylmethanolate.
What is the SMILES notation for anthracen-1-ylmethanolate?
The canonical SMILES for anthracen-1-ylmethanolate is [O-]Cc1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-ylmethanolate?
The InChIKey is RHZUVFJBSILHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11O/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2/q-1.
What are the key properties of anthracen-1-ylmethanolate?
anthracen-1-ylmethanolate has a molecular weight of 207.25 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-ylmethanolate is sourced from PubChem (CID 57358748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).