1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene

C20H27O2P — CID 71382280

IUPAC1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
SMILESCCCP(=O)(CC)Oc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H27O2P/c1-5-16-23(21,6-2)22-19-14-12-18(13-15-19)20(3,4)17-10-8-7-9-11-17/h7-15H,5-6,16H2,1-4H3
InChIKeyJAEBHUCHHSDNAI-UHFFFAOYSA-N
MW330.41 g/mol
LogP6.10
Rot. Bonds7

About 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene

1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene (PubChem CID 71382280) has the molecular formula C20H27O2P and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
PubChem CID71382280
Molecular FormulaC20H27O2P
Molecular Weight330.41 g/mol
Exact Mass330.17
IUPAC Name1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
SMILESCCCP(=O)(CC)Oc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C20H27O2P/c1-5-16-23(21,6-2)22-19-14-12-18(13-15-19)20(3,4)17-10-8-7-9-11-17/h7-15H,5-6,16H2,1-4H3
InChIKeyJAEBHUCHHSDNAI-UHFFFAOYSA-N
XLogP6.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 56.10
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

1-[butoxy(butyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
CID 91744206
[butyl(propyl)phosphoryl]oxybenzene
CID 23081695
[4-[2-[4-[phenoxy(phenyl)phosphoryl]oxyphenyl]propan-2-yl]phenyl] diphenyl phosphate
CID 59385619
[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
CID 123731391
1,2-bis(dipropylphosphoryloxy)benzene
CID 54254204
2-phenylpropan-2-ylbenzene
CID 13065
tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
CID 139911356
1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
CID 139631745
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene
CID 123210298
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-[butyl(ethyl)phosphoryl]oxy-2-methylbenzene
CID 23081741
[4-[2-[4-[hydroxy-(4-methylphenoxy)phosphoryl]oxyphenyl]propan-2-yl]phenyl] (4-methylphenyl) hydrogen phosphate
CID 23106977

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene?
The IUPAC name of 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene (CID 71382280) is 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene.
What is the SMILES notation for 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene?
The canonical SMILES for 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene is CCCP(=O)(CC)Oc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene?
The InChIKey is JAEBHUCHHSDNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O2P/c1-5-16-23(21,6-2)22-19-14-12-18(13-15-19)20(3,4)17-10-8-7-9-11-17/h7-15H,5-6,16H2,1-4H3.
What are the key properties of 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene?
1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene has a molecular weight of 330.41 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene is sourced from PubChem (CID 71382280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).