[3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid

C15H17O3P — CID 68829897

IUPAC[3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid
SMILESCc1cccc(-c2c(C)ccc(C)c2P(=O)(O)O)c1
InChIInChI=1S/C15H17O3P/c1-10-5-4-6-13(9-10)14-11(2)7-8-12(3)15(14)19(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyDBOLRVFODVGDII-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.08
Rot. Bonds2

About [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid

[3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid (PubChem CID 68829897) has the molecular formula C15H17O3P and a molecular weight of 276.27 g/mol. Its IUPAC name is [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid.

Molecular Properties

Compound Name[3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid
PubChem CID68829897
Molecular FormulaC15H17O3P
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name[3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid
SMILESCc1cccc(-c2c(C)ccc(C)c2P(=O)(O)O)c1
InChIInChI=1S/C15H17O3P/c1-10-5-4-6-13(9-10)14-11(2)7-8-12(3)15(14)19(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyDBOLRVFODVGDII-UHFFFAOYSA-N
XLogP3.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid 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

3,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298795
4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol
CID 101299034
3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol
CID 101299061
3-methyl-2-(3-methylphenyl)benzonitrile
CID 172915333
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
methanamine;1-methyl-3-phenylbenzene
CID 145414985
4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline
CID 87615494
1,4,5,8-tetrakis(3-methylphenyl)anthracene-9,10-dione
CID 25054148
2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79416999
2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79417630
4-bromo-1-methyl-2-(3-methylphenyl)imidazole
CID 30032990

Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid?
The IUPAC name of [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid (CID 68829897) is [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid.
What is the SMILES notation for [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid?
The canonical SMILES for [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid is Cc1cccc(-c2c(C)ccc(C)c2P(=O)(O)O)c1.
What is the InChIKey of [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid?
The InChIKey is DBOLRVFODVGDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O3P/c1-10-5-4-6-13(9-10)14-11(2)7-8-12(3)15(14)19(16,17)18/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid?
[3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid has a molecular weight of 276.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-2-(3-methylphenyl)phenyl]phosphonic acid is sourced from PubChem (CID 68829897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).