6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide

C13H13O2P — CID 142425353

IUPAC6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCP1(=O)OC2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C13H13O2P/c1-16(14)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16/h3-5,7-9H,2,6H2,1H3
InChIKeyBETUIKKKZFRBLK-UHFFFAOYSA-N
MW232.22 g/mol
LogP3.31
Rot. Bonds

About 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide

6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 142425353) has the molecular formula C13H13O2P and a molecular weight of 232.22 g/mol. Its IUPAC name is 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID142425353
Molecular FormulaC13H13O2P
Molecular Weight232.22 g/mol
Exact Mass232.07
IUPAC Name6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCP1(=O)OC2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C13H13O2P/c1-16(14)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16/h3-5,7-9H,2,6H2,1H3
InChIKeyBETUIKKKZFRBLK-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 53.31
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

(5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine
CID 163499108
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 142007672
2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine
CID 167158849
2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol
CID 142841188
N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline
CID 139546752
2-(2-phenylcyclohexa-1,5-dien-1-yl)benzenethiol
CID 170288323
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
4,9-dihydro-3H-fluoren-9-ylmethanamine
CID 145081785
11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide
CID 163894605
2-phenylcyclohexa-1,5-diene-1-carboxylic acid;phenylmethanamine
CID 143272081
11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one
CID 14940416

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 142425353) is 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide is CP1(=O)OC2=C(CCC=C2)c2ccccc21.
What is the InChIKey of 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is BETUIKKKZFRBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O2P/c1-16(14)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide?
6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 232.22 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 142425353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).