benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate

C15H13O4P — CID 57409602

IUPACbenzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate
SMILESCCC(=O)Op1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C15H13O4P/c1-2-15(16)19-20-17-13-9-5-3-7-11(13)12-8-4-6-10-14(12)18-20/h3-10H,2H2,1H3
InChIKeyIIEKQCDJBLBVFY-UHFFFAOYSA-N
MW288.24 g/mol
LogP4.66
Rot. Bonds2

About benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate

benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate (PubChem CID 57409602) has the molecular formula C15H13O4P and a molecular weight of 288.24 g/mol. Its IUPAC name is benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate.

Molecular Properties

Compound Namebenzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate
PubChem CID57409602
Molecular FormulaC15H13O4P
Molecular Weight288.24 g/mol
Exact Mass288.06
IUPAC Namebenzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate
SMILESCCC(=O)Op1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C15H13O4P/c1-2-15(16)19-20-17-13-9-5-3-7-11(13)12-8-4-6-10-14(12)18-20/h3-10H,2H2,1H3
InChIKeyIIEKQCDJBLBVFY-UHFFFAOYSA-N
XLogP4.66
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine
CID 14637273
2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol
CID 130412052
6-methylbenzo[d][1,3,2]benzodioxaphosphepine
CID 20673842
(4-methyl-2-oxochromen-3-yl) propanoate
CID 155490260
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-bromo-3,5-dimethylphenyl)-3-bromo-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 59931122
6-[(3R,4R)-4-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 101435798
acridin-9-yl propanoate
CID 174709653
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-butan-2-yl-3-tert-butylphenyl)-4-butan-2-yl-6-tert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 58444055
1,3-benzoxazol-2-yl propanoate
CID 57266328
tert-butyl 2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methylbenzoate
CID 142046060
dibenzofuran;ethanol
CID 174821059
ethyl propanoate;3-hydroxyxanthen-9-one
CID 174285230

Frequently Asked Questions

What is the IUPAC name of benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate?
The IUPAC name of benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate (CID 57409602) is benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate.
What is the SMILES notation for benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate?
The canonical SMILES for benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate is CCC(=O)Op1oc2ccccc2c2ccccc2o1.
What is the InChIKey of benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate?
The InChIKey is IIEKQCDJBLBVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O4P/c1-2-15(16)19-20-17-13-9-5-3-7-11(13)12-8-4-6-10-14(12)18-20/h3-10H,2H2,1H3.
What are the key properties of benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate?
benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate has a molecular weight of 288.24 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate is sourced from PubChem (CID 57409602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).