2-phenylethylbenzene;phosphorosooxybenzene

C20H19O2P — CID 68973747

IUPAC2-phenylethylbenzene;phosphorosooxybenzene
SMILESO=POc1ccccc1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C6H5O2P/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;7-9-8-6-4-2-1-3-5-6/h1-10H,11-12H2;1-5H
InChIKeyGPHCRTIIOIVQOI-UHFFFAOYSA-N
MW322.34 g/mol
LogP5.74
Rot. Bonds5

About 2-phenylethylbenzene;phosphorosooxybenzene

2-phenylethylbenzene;phosphorosooxybenzene (PubChem CID 68973747) has the molecular formula C20H19O2P and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-phenylethylbenzene;phosphorosooxybenzene.

Molecular Properties

Compound Name2-phenylethylbenzene;phosphorosooxybenzene
PubChem CID68973747
Molecular FormulaC20H19O2P
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name2-phenylethylbenzene;phosphorosooxybenzene
SMILESO=POc1ccccc1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C6H5O2P/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;7-9-8-6-4-2-1-3-5-6/h1-10H,11-12H2;1-5H
InChIKeyGPHCRTIIOIVQOI-UHFFFAOYSA-N
XLogP5.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.34
LogP ≤ 55.74
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

CID 66709852
CID 66709852
butane;phosphorosooxybenzene
CID 69253491
benzene;2-phenylethylbenzene
CID 18982764
2-phosphorosooxyethylbenzene
CID 23393054
azane;2-phosphorosooxyethylbenzene
CID 69238979
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
ethane;methane;2-phenylethylbenzene
CID 158652330
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
phosphorosoperoxybenzene
CID 154486762

Frequently Asked Questions

What is the IUPAC name of 2-phenylethylbenzene;phosphorosooxybenzene?
The IUPAC name of 2-phenylethylbenzene;phosphorosooxybenzene (CID 68973747) is 2-phenylethylbenzene;phosphorosooxybenzene.
What is the SMILES notation for 2-phenylethylbenzene;phosphorosooxybenzene?
The canonical SMILES for 2-phenylethylbenzene;phosphorosooxybenzene is O=POc1ccccc1.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethylbenzene;phosphorosooxybenzene?
The InChIKey is GPHCRTIIOIVQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C6H5O2P/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;7-9-8-6-4-2-1-3-5-6/h1-10H,11-12H2;1-5H.
What are the key properties of 2-phenylethylbenzene;phosphorosooxybenzene?
2-phenylethylbenzene;phosphorosooxybenzene has a molecular weight of 322.34 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylbenzene;phosphorosooxybenzene is sourced from PubChem (CID 68973747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).