1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene

C18H21O2P — CID 67647859

IUPAC1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene
SMILESCc1cc(C)c(Cc2ccccc2C(C)OP=O)c(C)c1
InChIInChI=1S/C18H21O2P/c1-12-9-13(2)18(14(3)10-12)11-16-7-5-6-8-17(16)15(4)20-21-19/h5-10,15H,11H2,1-4H3
InChIKeyZBHHMMVIJODGND-UHFFFAOYSA-N
MW300.34 g/mol
LogP5.49
Rot. Bonds5

About 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene

1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene (PubChem CID 67647859) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene
PubChem CID67647859
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene
SMILESCc1cc(C)c(Cc2ccccc2C(C)OP=O)c(C)c1
InChIInChI=1S/C18H21O2P/c1-12-9-13(2)18(14(3)10-12)11-16-7-5-6-8-17(16)15(4)20-21-19/h5-10,15H,11H2,1-4H3
InChIKeyZBHHMMVIJODGND-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.34
LogP ≤ 55.49
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

2-[(2-methoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 160889677
2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene
CID 129218823
2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 3742978
(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol
CID 78931588
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
2-[[(R)-[(1R)-1-(2-fluorophenyl)ethyl]sulfinyl]methyl]-1,3,5-trimethylbenzene
CID 97311315
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660
1-benzyl-2-propan-2-ylbenzene
CID 13215617
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666
2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanol
CID 63899918

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene (CID 67647859) is 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene is Cc1cc(C)c(Cc2ccccc2C(C)OP=O)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene?
The InChIKey is ZBHHMMVIJODGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O2P/c1-12-9-13(2)18(14(3)10-12)11-16-7-5-6-8-17(16)15(4)20-21-19/h5-10,15H,11H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene?
1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene has a molecular weight of 300.34 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[[2-(1-phosphorosooxyethyl)phenyl]methyl]benzene is sourced from PubChem (CID 67647859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).