1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene

C18H23O3P — CID 87155659

IUPAC1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
SMILESCCc1ccccc1OP(=O)(CC)Oc1ccccc1CC
InChIInChI=1S/C18H23O3P/c1-4-15-11-7-9-13-17(15)20-22(19,6-3)21-18-14-10-8-12-16(18)5-2/h7-14H,4-6H2,1-3H3
InChIKeyWJYFGQMIOOPAJD-UHFFFAOYSA-N
MW318.35 g/mol
LogP5.48
Rot. Bonds7

About 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene

1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene (PubChem CID 87155659) has the molecular formula C18H23O3P and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
PubChem CID87155659
Molecular FormulaC18H23O3P
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
SMILESCCc1ccccc1OP(=O)(CC)Oc1ccccc1CC
InChIInChI=1S/C18H23O3P/c1-4-15-11-7-9-13-17(15)20-22(19,6-3)21-18-14-10-8-12-16(18)5-2/h7-14H,4-6H2,1-3H3
InChIKeyWJYFGQMIOOPAJD-UHFFFAOYSA-N
XLogP5.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.35
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane
CID 87668436
CID 70628268
CID 70628268
1-bis(2-propylphenoxy)phosphorylpropan-2-one
CID 176899425
1-[butoxy(ethyl)phosphoryl]oxy-2-chlorobenzene
CID 25065173
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
(2-ethylphenoxy)-(4-methylbenzoyl)phosphinic acid
CID 87156121
(2-ethylphenoxy)-methylphosphane
CID 142904661
1-ethyl-2-(trioxidanyl)benzene
CID 54124310
1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene
CID 174422888
N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline
CID 70179153
[(2-ethylphenoxy)-hydroxyphosphoryl] prop-2-eneperoxoate
CID 23077154
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene?
The IUPAC name of 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene (CID 87155659) is 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene.
What is the SMILES notation for 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene?
The canonical SMILES for 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene is CCc1ccccc1OP(=O)(CC)Oc1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene?
The InChIKey is WJYFGQMIOOPAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O3P/c1-4-15-11-7-9-13-17(15)20-22(19,6-3)21-18-14-10-8-12-16(18)5-2/h7-14H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene?
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene has a molecular weight of 318.35 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 87155659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).