[(1S)-1,2-diphenylethyl]-oxophosphanium

C14H14OP+ — CID 97050342

IUPAC[(1S)-1,2-diphenylethyl]-oxophosphanium
SMILESO=[PH+][C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13OP/c15-16-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2/p+1/t14-/m0/s1
InChIKeyYCKGASMNRUNKCN-AWEZNQCLSA-O
MW229.24 g/mol
LogP3.99
Rot. Bonds4

About [(1S)-1,2-diphenylethyl]-oxophosphanium

[(1S)-1,2-diphenylethyl]-oxophosphanium (PubChem CID 97050342) has the molecular formula C14H14OP+ and a molecular weight of 229.24 g/mol. Its IUPAC name is [(1S)-1,2-diphenylethyl]-oxophosphanium.

Molecular Properties

Compound Name[(1S)-1,2-diphenylethyl]-oxophosphanium
PubChem CID97050342
Molecular FormulaC14H14OP+
Molecular Weight229.24 g/mol
Exact Mass229.08
IUPAC Name[(1S)-1,2-diphenylethyl]-oxophosphanium
SMILESO=[PH+][C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13OP/c15-16-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2/p+1/t14-/m0/s1
InChIKeyYCKGASMNRUNKCN-AWEZNQCLSA-O
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1,2-diphenylethanol
CID 1379022
1,3-diphenylpropan-2-ylazanium chloride
CID 67842912
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
(2S)-2,3-diphenylpropanoic acid
CID 737125
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
5-[(1R)-1,2-diphenylethyl]-1,3,5-triazinane-2-thione
CID 6934443
CID 140568629
CID 140568629
(1S)-1,2-diphenylethanesulfonamide
CID 15655609
(2S)-2,3-diphenylpropanoate
CID 6993748
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
2-methyl-3,4-diphenylbutanal
CID 155047824

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2-diphenylethyl]-oxophosphanium?
The IUPAC name of [(1S)-1,2-diphenylethyl]-oxophosphanium (CID 97050342) is [(1S)-1,2-diphenylethyl]-oxophosphanium.
What is the SMILES notation for [(1S)-1,2-diphenylethyl]-oxophosphanium?
The canonical SMILES for [(1S)-1,2-diphenylethyl]-oxophosphanium is O=[PH+][C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1,2-diphenylethyl]-oxophosphanium?
The InChIKey is YCKGASMNRUNKCN-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H13OP/c15-16-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1,2-diphenylethyl]-oxophosphanium?
[(1S)-1,2-diphenylethyl]-oxophosphanium has a molecular weight of 229.24 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2-diphenylethyl]-oxophosphanium is sourced from PubChem (CID 97050342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).