(1-phenoxycyclohexyl)phosphane

C12H17OP — CID 175047235

IUPAC(1-phenoxycyclohexyl)phosphane
SMILESPC1(Oc2ccccc2)CCCCC1
InChIInChI=1S/C12H17OP/c14-12(9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2
InChIKeyZDSOQLQZXCZDJU-UHFFFAOYSA-N
MW208.24 g/mol
LogP3.60
Rot. Bonds2

About (1-phenoxycyclohexyl)phosphane

(1-phenoxycyclohexyl)phosphane (PubChem CID 175047235) has the molecular formula C12H17OP and a molecular weight of 208.24 g/mol. Its IUPAC name is (1-phenoxycyclohexyl)phosphane.

Molecular Properties

Compound Name(1-phenoxycyclohexyl)phosphane
PubChem CID175047235
Molecular FormulaC12H17OP
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(1-phenoxycyclohexyl)phosphane
SMILESPC1(Oc2ccccc2)CCCCC1
InChIInChI=1S/C12H17OP/c14-12(9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2
InChIKeyZDSOQLQZXCZDJU-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-phenoxycyclohexyl)phosphane?
The IUPAC name of (1-phenoxycyclohexyl)phosphane (CID 175047235) is (1-phenoxycyclohexyl)phosphane.
What is the SMILES notation for (1-phenoxycyclohexyl)phosphane?
The canonical SMILES for (1-phenoxycyclohexyl)phosphane is PC1(Oc2ccccc2)CCCCC1.
What is the InChIKey of (1-phenoxycyclohexyl)phosphane?
The InChIKey is ZDSOQLQZXCZDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17OP/c14-12(9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2.
What are the key properties of (1-phenoxycyclohexyl)phosphane?
(1-phenoxycyclohexyl)phosphane has a molecular weight of 208.24 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenoxycyclohexyl)phosphane is sourced from PubChem (CID 175047235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).