8-methyl-4H-1,3,2-benzodioxaphosphinine

C8H9O2P — CID 143914921

IUPAC8-methyl-4H-1,3,2-benzodioxaphosphinine
SMILESCc1cccc2c1OPOC2
InChIInChI=1S/C8H9O2P/c1-6-3-2-4-7-5-9-11-10-8(6)7/h2-4,11H,5H2,1H3
InChIKeyQSYOEWQBZZMASU-UHFFFAOYSA-N
MW168.13 g/mol
LogP2.41
Rot. Bonds

About 8-methyl-4H-1,3,2-benzodioxaphosphinine

8-methyl-4H-1,3,2-benzodioxaphosphinine (PubChem CID 143914921) has the molecular formula C8H9O2P and a molecular weight of 168.13 g/mol. Its IUPAC name is 8-methyl-4H-1,3,2-benzodioxaphosphinine.

Molecular Properties

Compound Name8-methyl-4H-1,3,2-benzodioxaphosphinine
PubChem CID143914921
Molecular FormulaC8H9O2P
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name8-methyl-4H-1,3,2-benzodioxaphosphinine
SMILESCc1cccc2c1OPOC2
InChIInChI=1S/C8H9O2P/c1-6-3-2-4-7-5-9-11-10-8(6)7/h2-4,11H,5H2,1H3
InChIKeyQSYOEWQBZZMASU-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine
CID 15403802
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
11-[(1,9-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)methyl]-1,9-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 23561224
8-methyl-4H-1,3,2-benzodioxaphosphinine;methyl formate;N-naphthalen-1-yl-7H-purin-6-amine;(3R,4S)-oxolane-3,4-diol
CID 143914923
7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran
CID 134811657
8-methyl-N,N-di(propan-2-yl)-4H-1,3,2-benzodioxaphosphinin-2-amine
CID 15404022
8-methyl-3,4-dihydrochromen-2-one
CID 23513095
(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399168
4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-ol
CID 139748942
2,2-difluoro-8-methyl-3,4-dihydrochromene
CID 118474888
2-hydroxy-8-methyl-3,4-dihydro-1,2-benzoxaborinine
CID 158577824
N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine
CID 70260688

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4H-1,3,2-benzodioxaphosphinine?
The IUPAC name of 8-methyl-4H-1,3,2-benzodioxaphosphinine (CID 143914921) is 8-methyl-4H-1,3,2-benzodioxaphosphinine.
What is the SMILES notation for 8-methyl-4H-1,3,2-benzodioxaphosphinine?
The canonical SMILES for 8-methyl-4H-1,3,2-benzodioxaphosphinine is Cc1cccc2c1OPOC2.
What is the InChIKey of 8-methyl-4H-1,3,2-benzodioxaphosphinine?
The InChIKey is QSYOEWQBZZMASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2P/c1-6-3-2-4-7-5-9-11-10-8(6)7/h2-4,11H,5H2,1H3.
What are the key properties of 8-methyl-4H-1,3,2-benzodioxaphosphinine?
8-methyl-4H-1,3,2-benzodioxaphosphinine has a molecular weight of 168.13 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4H-1,3,2-benzodioxaphosphinine is sourced from PubChem (CID 143914921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).