2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate

C32H35O5P — CID 22978799

IUPAC2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate
SMILESCC(c1ccccc1)c1cc(C(C)c2ccccc2)c(OCCOP(=O)(O)O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C32H35O5P/c1-23(26-13-7-4-8-14-26)29-21-30(24(2)27-15-9-5-10-16-27)32(36-19-20-37-38(33,34)35)31(22-29)25(3)28-17-11-6-12-18-28/h4-18,21-25H,19-20H2,1-3H3,(H2,33,34,35)
InChIKeyIFWRZZMKGJYHAU-UHFFFAOYSA-N
MW530.60 g/mol
LogP7.63
Rot. Bonds11

About 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate

2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate (PubChem CID 22978799) has the molecular formula C32H35O5P and a molecular weight of 530.60 g/mol. Its IUPAC name is 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate
PubChem CID22978799
Molecular FormulaC32H35O5P
Molecular Weight530.60 g/mol
Exact Mass530.22
IUPAC Name2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate
SMILESCC(c1ccccc1)c1cc(C(C)c2ccccc2)c(OCCOP(=O)(O)O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C32H35O5P/c1-23(26-13-7-4-8-14-26)29-21-30(24(2)27-15-9-5-10-16-27)32(36-19-20-37-38(33,34)35)31(22-29)25(3)28-17-11-6-12-18-28/h4-18,21-25H,19-20H2,1-3H3,(H2,33,34,35)
InChIKeyIFWRZZMKGJYHAU-UHFFFAOYSA-N
XLogP7.63
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.60
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 160847219
2-[4-methyl-2,6-bis(1-phenylethyl)phenoxy]ethyl hydrogen sulfate
CID 153310754
2-methylprop-2-enoic acid;1,3,5-tris(1-phenylethyl)-2-[2,4,6-tris(1-phenylethyl)phenoxy]benzene
CID 68867034
2-[4-methyl-2,6-bis(1-phenylethyl)phenoxy]ethyl sulfate
CID 153310753
1-[(2-methylpropan-2-yl)oxy]-3-[2,4,6-tris(1-phenylethyl)phenoxy]propan-2-ol
CID 138553566
6,6-diphenylhexyl dihydrogen phosphate
CID 139923067
2-(oxiran-2-ylmethoxy)-3,5-bis(1-phenylethyl)aniline
CID 163785441
[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane
CID 158802714
2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-1,3,5-tris(1-phenylethyl)benzene
CID 130350859
phenyl [2-[2,4,6-tris(1-phenylethyl)phenyl]phenyl] hydrogen phosphate
CID 152574581
1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate?
The IUPAC name of 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate (CID 22978799) is 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate is CC(c1ccccc1)c1cc(C(C)c2ccccc2)c(OCCOP(=O)(O)O)c(C(C)c2ccccc2)c1.
What is the InChIKey of 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate?
The InChIKey is IFWRZZMKGJYHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35O5P/c1-23(26-13-7-4-8-14-26)29-21-30(24(2)27-15-9-5-10-16-27)32(36-19-20-37-38(33,34)35)31(22-29)25(3)28-17-11-6-12-18-28/h4-18,21-25H,19-20H2,1-3H3,(H2,33,34,35).
What are the key properties of 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate?
2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate has a molecular weight of 530.60 g/mol, XLogP of 7.63, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4,6-tris(1-phenylethyl)phenoxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 22978799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).