anthracen-1-yl formate

C15H10O2 — CID 22404669

IUPACanthracen-1-yl formate
SMILESO=COc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H10O2/c16-10-17-15-7-3-6-13-8-11-4-1-2-5-12(11)9-14(13)15/h1-10H
InChIKeyWILKQHVPOLXYEO-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.53
Rot. Bonds2

About anthracen-1-yl formate

anthracen-1-yl formate (PubChem CID 22404669) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is anthracen-1-yl formate.

Molecular Properties

Compound Nameanthracen-1-yl formate
PubChem CID22404669
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Nameanthracen-1-yl formate
SMILESO=COc1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H10O2/c16-10-17-15-7-3-6-13-8-11-4-1-2-5-12(11)9-14(13)15/h1-10H
InChIKeyWILKQHVPOLXYEO-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze anthracen-1-yl formate 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

1-anthracen-1-ylperoxyanthracene
CID 87977353
1-iodosulfonyloxyanthracene
CID 174474956
1-prop-2-enoxyanthracene
CID 141089148
anthracen-1-yl 2-formylbenzoate
CID 141425213
anthracen-1-ylmethyl formate
CID 54364674
magnesium;anthracen-1-yl ethenesulfonate;hydride
CID 174836320
(5-methoxynaphthalen-1-yl) formate
CID 11447000
anthracen-1-yl anthracene-1-sulfonate
CID 174423512
15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate
CID 91073477
(1-methoxynaphthalen-2-yl) formate
CID 19815208
(5-fluoronaphthalen-1-yl) formate
CID 57195526
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595

Frequently Asked Questions

What is the IUPAC name of anthracen-1-yl formate?
The IUPAC name of anthracen-1-yl formate (CID 22404669) is anthracen-1-yl formate.
What is the SMILES notation for anthracen-1-yl formate?
The canonical SMILES for anthracen-1-yl formate is O=COc1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-yl formate?
The InChIKey is WILKQHVPOLXYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-10-17-15-7-3-6-13-8-11-4-1-2-5-12(11)9-14(13)15/h1-10H.
What are the key properties of anthracen-1-yl formate?
anthracen-1-yl formate has a molecular weight of 222.24 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-yl formate is sourced from PubChem (CID 22404669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).