3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium

C13H13O3P — CID 101178467

IUPAC3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium
SMILESCO[P+]1([O-])Cc2cc3ccccc3cc2CO1
InChIInChI=1S/C13H13O3P/c1-15-17(14)9-13-7-11-5-3-2-4-10(11)6-12(13)8-16-17/h2-7H,8-9H2,1H3
InChIKeyQSBVJASUBAIUBW-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.64
Rot. Bonds1

About 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium

3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium (PubChem CID 101178467) has the molecular formula C13H13O3P and a molecular weight of 248.22 g/mol. Its IUPAC name is 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium.

Molecular Properties

Compound Name3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium
PubChem CID101178467
Molecular FormulaC13H13O3P
Molecular Weight248.22 g/mol
Exact Mass248.06
IUPAC Name3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium
SMILESCO[P+]1([O-])Cc2cc3ccccc3cc2CO1
InChIInChI=1S/C13H13O3P/c1-15-17(14)9-13-7-11-5-3-2-4-10(11)6-12(13)8-16-17/h2-7H,8-9H2,1H3
InChIKeyQSBVJASUBAIUBW-UHFFFAOYSA-N
XLogP2.64
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium 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

1,3-dihydrobenzo[f][2]benzofuran
CID 15555103
12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 101178463
methyl (3R)-3,4-dihydro-1H-benzo[g]isochromene-3-carboxylate
CID 102261708
2-methoxy-1,2-dihydrocyclobuta[b]naphthalene
CID 135298847
1H-cyclopropa[b]naphthalene;ethane
CID 144907572
anthracene;2-methyloxirane
CID 174666283
3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran
CID 14065014
1,4-dihydroanthracene
CID 10142816
3,12-dithiatetracyclo[12.8.0.05,10.016,21]docosa-1(22),5,7,9,14,16,18,20-octaene
CID 139055524
2,5,8,21,24,27-hexaoxapentacyclo[26.8.0.010,19.012,17.030,35]hexatriaconta-1(36),10,12,14,16,18,28,30,32,34-decaene
CID 102216717
methoxymethane;naphthalene
CID 90827145
anthracene;silirane
CID 173385218

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium?
The IUPAC name of 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium (CID 101178467) is 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium.
What is the SMILES notation for 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium?
The canonical SMILES for 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium is CO[P+]1([O-])Cc2cc3ccccc3cc2CO1.
What is the InChIKey of 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium?
The InChIKey is QSBVJASUBAIUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O3P/c1-15-17(14)9-13-7-11-5-3-2-4-10(11)6-12(13)8-16-17/h2-7H,8-9H2,1H3.
What are the key properties of 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium?
3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium has a molecular weight of 248.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium is sourced from PubChem (CID 101178467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).