[4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene

C32H37P — CID 143532331

IUPAC[4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene
SMILESCc1ccc(C)c(C)c1.Cc1ccc(P(C)c2ccc(Cc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C23H25P.C9H12/c1-17-5-11-22(12-6-17)24(4)23-13-9-20(10-14-23)16-21-8-7-18(2)19(3)15-21;1-7-4-5-8(2)9(3)6-7/h5-15H,16H2,1-4H3;4-6H,1-3H3
InChIKeyJMXVFKRBWDMGED-UHFFFAOYSA-N
MW452.62 g/mol
LogP7.88
Rot. Bonds4

About [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene

[4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene (PubChem CID 143532331) has the molecular formula C32H37P and a molecular weight of 452.62 g/mol. Its IUPAC name is [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name[4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene
PubChem CID143532331
Molecular FormulaC32H37P
Molecular Weight452.62 g/mol
Exact Mass452.26
IUPAC Name[4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene
SMILESCc1ccc(C)c(C)c1.Cc1ccc(P(C)c2ccc(Cc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C23H25P.C9H12/c1-17-5-11-22(12-6-17)24(4)23-13-9-20(10-14-23)16-21-8-7-18(2)19(3)15-21;1-7-4-5-8(2)9(3)6-7/h5-15H,16H2,1-4H3;4-6H,1-3H3
InChIKeyJMXVFKRBWDMGED-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1,2,4-trimethylbenzene
CID 7247
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
1,4-bis(4-methylphenyl)benzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;2,6-dimethylpyridine
CID 158538111
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
CID 142943343
2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene
CID 71397696
butane;ethane;1,2,4-trimethylbenzene
CID 143613706

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene?
The IUPAC name of [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene (CID 143532331) is [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene.
What is the SMILES notation for [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene?
The canonical SMILES for [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene is Cc1ccc(C)c(C)c1.Cc1ccc(P(C)c2ccc(Cc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene?
The InChIKey is JMXVFKRBWDMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25P.C9H12/c1-17-5-11-22(12-6-17)24(4)23-13-9-20(10-14-23)16-21-8-7-18(2)19(3)15-21;1-7-4-5-8(2)9(3)6-7/h5-15H,16H2,1-4H3;4-6H,1-3H3.
What are the key properties of [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene?
[4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene has a molecular weight of 452.62 g/mol, XLogP of 7.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethylphenyl)methyl]phenyl]-methyl-(4-methylphenyl)phosphane;1,2,4-trimethylbenzene is sourced from PubChem (CID 143532331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).