1-methyl-3H-2,1-benzoxaphosphole

C8H9OP — CID 178006597

IUPAC1-methyl-3H-2,1-benzoxaphosphole
SMILESCP1OCc2ccccc21
InChIInChI=1S/C8H9OP/c1-10-8-5-3-2-4-7(8)6-9-10/h2-5H,6H2,1H3
InChIKeyCRLZYINGUQLDTO-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.87
Rot. Bonds

About 1-methyl-3H-2,1-benzoxaphosphole

1-methyl-3H-2,1-benzoxaphosphole (PubChem CID 178006597) has the molecular formula C8H9OP and a molecular weight of 152.13 g/mol. Its IUPAC name is 1-methyl-3H-2,1-benzoxaphosphole.

Molecular Properties

Compound Name1-methyl-3H-2,1-benzoxaphosphole
PubChem CID178006597
Molecular FormulaC8H9OP
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name1-methyl-3H-2,1-benzoxaphosphole
SMILESCP1OCc2ccccc21
InChIInChI=1S/C8H9OP/c1-10-8-5-3-2-4-7(8)6-9-10/h2-5H,6H2,1H3
InChIKeyCRLZYINGUQLDTO-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6H-phosphanthridine
CID 144525107
bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane
CID 159295465
10-(2-methylidenebutoxy)-9,11-dioxa-10-phosphatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaene
CID 59790408
2-chloro-8-methyl-4H-1,3,2-benzodioxaphosphinine
CID 15403802
3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline
CID 171624006
ethane;2-methylidene-1,3-dihydroindene
CID 90790754
3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene
CID 13012462
9,10-dihydroanthracene;methanamine
CID 123513741
ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline
CID 171624005
N-methyl-1,3-dihydro-2-benzofuran-1-amine
CID 141076317
3,4-dihydro-1H-isochromene;ethane;N-methylpropan-1-amine
CID 142279279
3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine
CID 154700754

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3H-2,1-benzoxaphosphole?
The IUPAC name of 1-methyl-3H-2,1-benzoxaphosphole (CID 178006597) is 1-methyl-3H-2,1-benzoxaphosphole.
What is the SMILES notation for 1-methyl-3H-2,1-benzoxaphosphole?
The canonical SMILES for 1-methyl-3H-2,1-benzoxaphosphole is CP1OCc2ccccc21.
What is the InChIKey of 1-methyl-3H-2,1-benzoxaphosphole?
The InChIKey is CRLZYINGUQLDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9OP/c1-10-8-5-3-2-4-7(8)6-9-10/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-3H-2,1-benzoxaphosphole?
1-methyl-3H-2,1-benzoxaphosphole has a molecular weight of 152.13 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3H-2,1-benzoxaphosphole is sourced from PubChem (CID 178006597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).