6-chlorobenzo[d][1,3,2]benzodioxaphosphepine

C12H8ClO2P — CID 612102

IUPAC6-chlorobenzo[d][1,3,2]benzodioxaphosphepine
SMILESClp1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C12H8ClO2P/c13-16-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-16/h1-8H
InChIKeyRKNWJMHQLOIGIH-UHFFFAOYSA-N
MW250.62 g/mol
LogP5.29
Rot. Bonds

About 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine

6-chlorobenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 612102) has the molecular formula C12H8ClO2P and a molecular weight of 250.62 g/mol. Its IUPAC name is 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-chlorobenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID612102
Molecular FormulaC12H8ClO2P
Molecular Weight250.62 g/mol
Exact Mass250.00
IUPAC Name6-chlorobenzo[d][1,3,2]benzodioxaphosphepine
SMILESClp1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C12H8ClO2P/c13-16-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-16/h1-8H
InChIKeyRKNWJMHQLOIGIH-UHFFFAOYSA-N
XLogP5.29
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.62
LogP ≤ 55.29
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
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
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
Benzo[d][1,3,2]benzodioxaphosphepine
CID 18993740
6-Methylbenzo[d][1,3,2]benzodioxaphosphepine
CID 20673842
6-Chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 20820441
N,N-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine
CID 54597875

Frequently Asked Questions

What is the IUPAC name of 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine (CID 612102) is 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine is Clp1oc2ccccc2c2ccccc2o1.
What is the InChIKey of 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is RKNWJMHQLOIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClO2P/c13-16-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-16/h1-8H.
What are the key properties of 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine?
6-chlorobenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 250.62 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorobenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 612102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).