phosphenous acid;1,2,3-trimethylbenzene

C9H13O2P — CID 174913168

IUPACphosphenous acid;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.O=PO
InChIInChI=1S/C9H12.HO2P/c1-7-5-4-6-8(2)9(7)3;1-3-2/h4-6H,1-3H3;(H,1,2)
InChIKeyNKINEVHWKYTLBB-UHFFFAOYSA-N
MW184.17 g/mol
LogP2.80
Rot. Bonds

About phosphenous acid;1,2,3-trimethylbenzene

phosphenous acid;1,2,3-trimethylbenzene (PubChem CID 174913168) has the molecular formula C9H13O2P and a molecular weight of 184.17 g/mol. Its IUPAC name is phosphenous acid;1,2,3-trimethylbenzene.

Molecular Properties

Compound Namephosphenous acid;1,2,3-trimethylbenzene
PubChem CID174913168
Molecular FormulaC9H13O2P
Molecular Weight184.17 g/mol
Exact Mass184.07
IUPAC Namephosphenous acid;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.O=PO
InChIInChI=1S/C9H12.HO2P/c1-7-5-4-6-8(2)9(7)3;1-3-2/h4-6H,1-3H3;(H,1,2)
InChIKeyNKINEVHWKYTLBB-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
dihydroxy(oxo)phosphanium;tris(1,2-xylene)
CID 175961535
dichlororuthenium;1,2,3-trimethylbenzene
CID 87163409
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
1,3-dimethyl-2-phosphorosobenzene
CID 67824362
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655

Frequently Asked Questions

What is the IUPAC name of phosphenous acid;1,2,3-trimethylbenzene?
The IUPAC name of phosphenous acid;1,2,3-trimethylbenzene (CID 174913168) is phosphenous acid;1,2,3-trimethylbenzene.
What is the SMILES notation for phosphenous acid;1,2,3-trimethylbenzene?
The canonical SMILES for phosphenous acid;1,2,3-trimethylbenzene is Cc1cccc(C)c1C.O=PO.
What is the InChIKey of phosphenous acid;1,2,3-trimethylbenzene?
The InChIKey is NKINEVHWKYTLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.HO2P/c1-7-5-4-6-8(2)9(7)3;1-3-2/h4-6H,1-3H3;(H,1,2).
What are the key properties of phosphenous acid;1,2,3-trimethylbenzene?
phosphenous acid;1,2,3-trimethylbenzene has a molecular weight of 184.17 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphenous acid;1,2,3-trimethylbenzene is sourced from PubChem (CID 174913168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).