phosphorosomethane;1,3,5-trimethylbenzene

C10H15OP — CID 174873264

IUPACphosphorosomethane;1,3,5-trimethylbenzene
SMILESCP=O.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.CH3OP/c1-7-4-8(2)6-9(3)5-7;1-3-2/h4-6H,1-3H3;1H3
InChIKeyJDNAVACIKXNKDK-UHFFFAOYSA-N
MW182.20 g/mol
LogP3.52
Rot. Bonds

About phosphorosomethane;1,3,5-trimethylbenzene

phosphorosomethane;1,3,5-trimethylbenzene (PubChem CID 174873264) has the molecular formula C10H15OP and a molecular weight of 182.20 g/mol. Its IUPAC name is phosphorosomethane;1,3,5-trimethylbenzene.

Molecular Properties

Compound Namephosphorosomethane;1,3,5-trimethylbenzene
PubChem CID174873264
Molecular FormulaC10H15OP
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Namephosphorosomethane;1,3,5-trimethylbenzene
SMILESCP=O.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.CH3OP/c1-7-4-8(2)6-9(3)5-7;1-3-2/h4-6H,1-3H3;1H3
InChIKeyJDNAVACIKXNKDK-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phosphorosomethane;1,3,5-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxophosphanium;1,3,5-trimethylbenzene
CID 162088075
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
chromium;formaldehyde;1,3,5-trimethylbenzene
CID 15823960
phosphorosobenzene;1,3,5-trimethylbenzene
CID 174783868
N,N-dimethylmethanamine;1,3,5-trimethylbenzene
CID 160733965
formonitrile;1,3,5-trimethylbenzene
CID 174826910
isocyanic acid;1,3,5-trimethylbenzene
CID 88740913
1-phosphorosopentane;1,3,5-trimethylbenzene
CID 175057624
trichlororuthenium;1,3,5-trimethylbenzene
CID 175712088
difluoroxenon;1,3,5-trimethylbenzene
CID 175404691

Frequently Asked Questions

What is the IUPAC name of phosphorosomethane;1,3,5-trimethylbenzene?
The IUPAC name of phosphorosomethane;1,3,5-trimethylbenzene (CID 174873264) is phosphorosomethane;1,3,5-trimethylbenzene.
What is the SMILES notation for phosphorosomethane;1,3,5-trimethylbenzene?
The canonical SMILES for phosphorosomethane;1,3,5-trimethylbenzene is CP=O.Cc1cc(C)cc(C)c1.
What is the InChIKey of phosphorosomethane;1,3,5-trimethylbenzene?
The InChIKey is JDNAVACIKXNKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.CH3OP/c1-7-4-8(2)6-9(3)5-7;1-3-2/h4-6H,1-3H3;1H3.
What are the key properties of phosphorosomethane;1,3,5-trimethylbenzene?
phosphorosomethane;1,3,5-trimethylbenzene has a molecular weight of 182.20 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorosomethane;1,3,5-trimethylbenzene is sourced from PubChem (CID 174873264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).