[1-(2-bromophenyl)cyclohexyl]-phenylphosphane

C18H20BrP — CID 174887518

IUPAC[1-(2-bromophenyl)cyclohexyl]-phenylphosphane
SMILESBrc1ccccc1C1(Pc2ccccc2)CCCCC1
InChIInChI=1S/C18H20BrP/c19-17-12-6-5-11-16(17)18(13-7-2-8-14-18)20-15-9-3-1-4-10-15/h1,3-6,9-12,20H,2,7-8,13-14H2
InChIKeyHLWYJXXRCMLOCT-UHFFFAOYSA-N
MW347.24 g/mol
LogP5.61
Rot. Bonds3

About [1-(2-bromophenyl)cyclohexyl]-phenylphosphane

[1-(2-bromophenyl)cyclohexyl]-phenylphosphane (PubChem CID 174887518) has the molecular formula C18H20BrP and a molecular weight of 347.24 g/mol. Its IUPAC name is [1-(2-bromophenyl)cyclohexyl]-phenylphosphane.

Molecular Properties

Compound Name[1-(2-bromophenyl)cyclohexyl]-phenylphosphane
PubChem CID174887518
Molecular FormulaC18H20BrP
Molecular Weight347.24 g/mol
Exact Mass346.05
IUPAC Name[1-(2-bromophenyl)cyclohexyl]-phenylphosphane
SMILESBrc1ccccc1C1(Pc2ccccc2)CCCCC1
InChIInChI=1S/C18H20BrP/c19-17-12-6-5-11-16(17)18(13-7-2-8-14-18)20-15-9-3-1-4-10-15/h1,3-6,9-12,20H,2,7-8,13-14H2
InChIKeyHLWYJXXRCMLOCT-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.24
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(2-bromophenyl)cyclohexyl]-phenylphosphane?
The IUPAC name of [1-(2-bromophenyl)cyclohexyl]-phenylphosphane (CID 174887518) is [1-(2-bromophenyl)cyclohexyl]-phenylphosphane.
What is the SMILES notation for [1-(2-bromophenyl)cyclohexyl]-phenylphosphane?
The canonical SMILES for [1-(2-bromophenyl)cyclohexyl]-phenylphosphane is Brc1ccccc1C1(Pc2ccccc2)CCCCC1.
What is the InChIKey of [1-(2-bromophenyl)cyclohexyl]-phenylphosphane?
The InChIKey is HLWYJXXRCMLOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrP/c19-17-12-6-5-11-16(17)18(13-7-2-8-14-18)20-15-9-3-1-4-10-15/h1,3-6,9-12,20H,2,7-8,13-14H2.
What are the key properties of [1-(2-bromophenyl)cyclohexyl]-phenylphosphane?
[1-(2-bromophenyl)cyclohexyl]-phenylphosphane has a molecular weight of 347.24 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)cyclohexyl]-phenylphosphane is sourced from PubChem (CID 174887518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).