6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine

C22H15O3P — CID 14637273

IUPAC6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESc1ccc2c(Op3oc4ccccc4c4ccccc4o3)cccc2c1
InChIInChI=1S/C22H15O3P/c1-2-10-17-16(8-1)9-7-15-20(17)23-26-24-21-13-5-3-11-18(21)19-12-4-6-14-22(19)25-26/h1-15H
InChIKeyZJQTZVRIJUIBSP-UHFFFAOYSA-N
MW358.33 g/mol
LogP7.29
Rot. Bonds2

About 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine

6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 14637273) has the molecular formula C22H15O3P and a molecular weight of 358.33 g/mol. Its IUPAC name is 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID14637273
Molecular FormulaC22H15O3P
Molecular Weight358.33 g/mol
Exact Mass358.08
IUPAC Name6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESc1ccc2c(Op3oc4ccccc4c4ccccc4o3)cccc2c1
InChIInChI=1S/C22H15O3P/c1-2-10-17-16(8-1)9-7-15-20(17)23-26-24-21-13-5-3-11-18(21)19-12-4-6-14-22(19)25-26/h1-15H
InChIKeyZJQTZVRIJUIBSP-UHFFFAOYSA-N
XLogP7.29
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.33
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)anthracene-9,10-dione
CID 58931655
6-[2-(3-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 162782238
2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-phenylpyridine
CID 140807977
6-(2-tert-butyl-4-methylphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
CID 14637270
benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate
CID 57409602
6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
CID 11069264
2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol
CID 130412052
(E)-dinaphthalen-1-yloxydiazene
CID 67562548
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928
6-[[(11S)-11-methyl-13-(4-methylphenyl)-10-oxahexacyclo[13.12.0.02,12.03,8.018,27.021,26]heptacosa-1,3(8),4,6,12,14,18(27),19,21,23,25-undecaen-4-yl]oxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 54763352
6-[(3R,4R)-4-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 101435798
6-methylbenzo[d][1,3,2]benzodioxaphosphepine
CID 20673842

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine (CID 14637273) is 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine is c1ccc2c(Op3oc4ccccc4c4ccccc4o3)cccc2c1.
What is the InChIKey of 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is ZJQTZVRIJUIBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15O3P/c1-2-10-17-16(8-1)9-7-15-20(17)23-26-24-21-13-5-3-11-18(21)19-12-4-6-14-22(19)25-26/h1-15H.
What are the key properties of 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine?
6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 358.33 g/mol, XLogP of 7.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 14637273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).