benzo[d][1,3,2]benzodioxaphosphepine

C12H9O2P — CID 18993740

IUPACbenzo[d][1,3,2]benzodioxaphosphepine
SMILESc1ccc2c(c1)o[pH]oc1ccccc12
InChIInChI=1S/C12H9O2P/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-15-13-11/h1-8,15H
InChIKeyOCDHLVBDEIMURA-UHFFFAOYSA-N
MW216.18 g/mol
LogP4.33
Rot. Bonds

About benzo[d][1,3,2]benzodioxaphosphepine

benzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 18993740) has the molecular formula C12H9O2P and a molecular weight of 216.18 g/mol. Its IUPAC name is benzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Namebenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID18993740
Molecular FormulaC12H9O2P
Molecular Weight216.18 g/mol
Exact Mass216.03
IUPAC Namebenzo[d][1,3,2]benzodioxaphosphepine
SMILESc1ccc2c(c1)o[pH]oc1ccccc12
InChIInChI=1S/C12H9O2P/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-15-13-11/h1-8,15H
InChIKeyOCDHLVBDEIMURA-UHFFFAOYSA-N
XLogP4.33
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6H-Dibenz[c,e][1,2]oxaphosphorin, 6-oxide
CID 6328250
Dibenzo(d,f)(1,3,2)dioxaphosphepin, 6-chloro-
CID 612102
13-Chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 4372074
6-Hydroxy-2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin
CID 20523493
(11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10148332
6-sulfido-6H-benzo[c][2,1]benzoxaphosphinin-6-ium
CID 101777197
N,N-di(propan-2-yl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine
CID 23655627
6-(11-Benzo[d][1,3,2]benzodioxaphosphepin-6-yl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)benzo[d][1,3,2]benzodioxaphosphepine
CID 101159100
13-Methyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11457340
6-Phenylbenzo[d][1,3,2]benzodioxaphosphepine
CID 14637277
6-Methylbenzo[d][1,3,2]benzodioxaphosphepine
CID 20673842
6-Chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 20820441

Frequently Asked Questions

What is the IUPAC name of benzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of benzo[d][1,3,2]benzodioxaphosphepine (CID 18993740) is benzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for benzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for benzo[d][1,3,2]benzodioxaphosphepine is c1ccc2c(c1)o[pH]oc1ccccc12.
What is the InChIKey of benzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is OCDHLVBDEIMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O2P/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-15-13-11/h1-8,15H.
What are the key properties of benzo[d][1,3,2]benzodioxaphosphepine?
benzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 216.18 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 18993740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).