(1-benzylcyclohexyl)-oxido-oxophosphanium

C13H17O2P — CID 172783105

IUPAC(1-benzylcyclohexyl)-oxido-oxophosphanium
SMILESO=[P+]([O-])C1(Cc2ccccc2)CCCCC1
InChIInChI=1S/C13H17O2P/c14-16(15)13(9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyONHYBQXTFOPQBT-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.03
Rot. Bonds3

About (1-benzylcyclohexyl)-oxido-oxophosphanium

(1-benzylcyclohexyl)-oxido-oxophosphanium (PubChem CID 172783105) has the molecular formula C13H17O2P and a molecular weight of 236.25 g/mol. Its IUPAC name is (1-benzylcyclohexyl)-oxido-oxophosphanium.

Molecular Properties

Compound Name(1-benzylcyclohexyl)-oxido-oxophosphanium
PubChem CID172783105
Molecular FormulaC13H17O2P
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name(1-benzylcyclohexyl)-oxido-oxophosphanium
SMILESO=[P+]([O-])C1(Cc2ccccc2)CCCCC1
InChIInChI=1S/C13H17O2P/c14-16(15)13(9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyONHYBQXTFOPQBT-UHFFFAOYSA-N
XLogP3.03
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.03
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-isocyanatocyclopentyl)methylbenzene
CID 105453635
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
2-benzyloxane-2-carboxylic acid
CID 12030266
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
(2-benzyloxan-2-yl)silane
CID 123186626
4-(1-benzylcycloheptyl)benzene-1,3-diamine
CID 57084908
(2S)-2-benzyl-2-prop-2-enylcyclohexan-1-one
CID 11183780
1-(1-benzylcyclopentyl)pyrrole
CID 57128250
1-benzylcyclopropane-1-carboxylic acid
CID 562561
2-benzyloxolane-2-carboxylic acid
CID 18467992
(1-benzylcyclopentyl)urea
CID 86790395

Frequently Asked Questions

What is the IUPAC name of (1-benzylcyclohexyl)-oxido-oxophosphanium?
The IUPAC name of (1-benzylcyclohexyl)-oxido-oxophosphanium (CID 172783105) is (1-benzylcyclohexyl)-oxido-oxophosphanium.
What is the SMILES notation for (1-benzylcyclohexyl)-oxido-oxophosphanium?
The canonical SMILES for (1-benzylcyclohexyl)-oxido-oxophosphanium is O=[P+]([O-])C1(Cc2ccccc2)CCCCC1.
What is the InChIKey of (1-benzylcyclohexyl)-oxido-oxophosphanium?
The InChIKey is ONHYBQXTFOPQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O2P/c14-16(15)13(9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of (1-benzylcyclohexyl)-oxido-oxophosphanium?
(1-benzylcyclohexyl)-oxido-oxophosphanium has a molecular weight of 236.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclohexyl)-oxido-oxophosphanium is sourced from PubChem (CID 172783105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).