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

C13H11O2P — CID 20673842

IUPAC6-methylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCp1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C13H11O2P/c1-16-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15-16/h2-9H,1H3
InChIKeyMEXIIHUMGIKGNN-UHFFFAOYSA-N
MW230.20 g/mol
LogP4.83
Rot. Bonds

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

6-methylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 20673842) has the molecular formula C13H11O2P and a molecular weight of 230.20 g/mol. Its IUPAC name is 6-methylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-methylbenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID20673842
Molecular FormulaC13H11O2P
Molecular Weight230.20 g/mol
Exact Mass230.05
IUPAC Name6-methylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCp1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C13H11O2P/c1-16-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15-16/h2-9H,1H3
InChIKeyMEXIIHUMGIKGNN-UHFFFAOYSA-N
XLogP4.83
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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;trimethylphosphane
CID 157162301
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
N-methyl-N-[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
CID 134867022
benzo[d][1,3,2]benzodioxaphosphepin-6-yl propanoate
CID 57409602
dibenzofuran;ethanol
CID 174821059
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
10,13,16-trimethyl-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 23592736
6-[(3R,4R)-4-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyoxolan-3-yl]oxybenzo[d][1,3,2]benzodioxaphosphepine
CID 101435798
6-naphthalen-1-yloxybenzo[d][1,3,2]benzodioxaphosphepine
CID 14637273

Frequently Asked Questions

What is the IUPAC name of 6-methylbenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-methylbenzo[d][1,3,2]benzodioxaphosphepine (CID 20673842) is 6-methylbenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-methylbenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-methylbenzo[d][1,3,2]benzodioxaphosphepine is Cp1oc2ccccc2c2ccccc2o1.
What is the InChIKey of 6-methylbenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is MEXIIHUMGIKGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O2P/c1-16-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)15-16/h2-9H,1H3.
What are the key properties of 6-methylbenzo[d][1,3,2]benzodioxaphosphepine?
6-methylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 230.20 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 20673842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).