2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde

C18H21O2P — CID 174902425

IUPAC2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde
SMILESCCc1c(C)cc(C)cc1C.O=Cc1ccccc1P=O
InChIInChI=1S/C11H16.C7H5O2P/c1-5-11-9(3)6-8(2)7-10(11)4;8-5-6-3-1-2-4-7(6)10-9/h6-7H,5H2,1-4H3;1-5H
InChIKeyRSTPGQHUYCDSPI-UHFFFAOYSA-N
MW300.34 g/mol
LogP4.59
Rot. Bonds3

About 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde

2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde (PubChem CID 174902425) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde.

Molecular Properties

Compound Name2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde
PubChem CID174902425
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde
SMILESCCc1c(C)cc(C)cc1C.O=Cc1ccccc1P=O
InChIInChI=1S/C11H16.C7H5O2P/c1-5-11-9(3)6-8(2)7-10(11)4;8-5-6-3-1-2-4-7(6)10-9/h6-7H,5H2,1-4H3;1-5H
InChIKeyRSTPGQHUYCDSPI-UHFFFAOYSA-N
XLogP4.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde?
The IUPAC name of 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde (CID 174902425) is 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde.
What is the SMILES notation for 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde?
The canonical SMILES for 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde is CCc1c(C)cc(C)cc1C.O=Cc1ccccc1P=O.
What is the InChIKey of 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde?
The InChIKey is RSTPGQHUYCDSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C7H5O2P/c1-5-11-9(3)6-8(2)7-10(11)4;8-5-6-3-1-2-4-7(6)10-9/h6-7H,5H2,1-4H3;1-5H.
What are the key properties of 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde?
2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde has a molecular weight of 300.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde is sourced from PubChem (CID 174902425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).