12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene

C13H13O4P — CID 101178463

IUPAC12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
SMILESCO[P+]1([O-])OCc2cccc3cccc(c23)CO1
InChIInChI=1S/C13H13O4P/c1-15-18(14)16-8-11-6-2-4-10-5-3-7-12(9-17-18)13(10)11/h2-7H,8-9H2,1H3
InChIKeyQLPKBCBBPXNQHR-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.57
Rot. Bonds1

About 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene

12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene (PubChem CID 101178463) has the molecular formula C13H13O4P and a molecular weight of 264.22 g/mol. Its IUPAC name is 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene.

Molecular Properties

Compound Name12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
PubChem CID101178463
Molecular FormulaC13H13O4P
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Name12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
SMILESCO[P+]1([O-])OCc2cccc3cccc(c23)CO1
InChIInChI=1S/C13H13O4P/c1-15-18(14)16-8-11-6-2-4-10-5-3-7-12(9-17-18)13(10)11/h2-7H,8-9H2,1H3
InChIKeyQLPKBCBBPXNQHR-UHFFFAOYSA-N
XLogP2.57
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-oxido-1,4-dihydrobenzo[g][2,3]benzoxaphosphinin-3-ium
CID 101178467
1,2-dihydroacenaphthylene
CID 161018660
11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one
CID 101074094
(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
CID 129404909
12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 603823
3-methyl-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 177264468
[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
CID 7018923
1,2-dihydroacenaphthylene;perylene
CID 157201241
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
N-propan-2-yl-2,3-dihydro-1H-phenalen-2-amine
CID 70389017
(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene
CID 129383948
1,2-dihydroacenaphthylene;methyl prop-2-enoate
CID 174934441

Frequently Asked Questions

What is the IUPAC name of 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The IUPAC name of 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene (CID 101178463) is 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene.
What is the SMILES notation for 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The canonical SMILES for 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene is CO[P+]1([O-])OCc2cccc3cccc(c23)CO1.
What is the InChIKey of 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The InChIKey is QLPKBCBBPXNQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4P/c1-15-18(14)16-8-11-6-2-4-10-5-3-7-12(9-17-18)13(10)11/h2-7H,8-9H2,1H3.
What are the key properties of 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene has a molecular weight of 264.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene is sourced from PubChem (CID 101178463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).