(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane

C18H16BrP — CID 166796367

IUPAC(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane
SMILESBrc1ccc(P(C2=CCCC=C2)c2ccccc2)cc1
InChIInChI=1S/C18H16BrP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-5,7-14H,2,6H2
InChIKeyYEWYKPGXCHLPDP-UHFFFAOYSA-N
MW343.20 g/mol
LogP5.12
Rot. Bonds3

About (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane

(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane (PubChem CID 166796367) has the molecular formula C18H16BrP and a molecular weight of 343.20 g/mol. Its IUPAC name is (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane.

Molecular Properties

Compound Name(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane
PubChem CID166796367
Molecular FormulaC18H16BrP
Molecular Weight343.20 g/mol
Exact Mass342.02
IUPAC Name(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane
SMILESBrc1ccc(P(C2=CCCC=C2)c2ccccc2)cc1
InChIInChI=1S/C18H16BrP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-5,7-14H,2,6H2
InChIKeyYEWYKPGXCHLPDP-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.20
LogP ≤ 55.12
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 (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane?
The IUPAC name of (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane (CID 166796367) is (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane.
What is the SMILES notation for (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane?
The canonical SMILES for (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane is Brc1ccc(P(C2=CCCC=C2)c2ccccc2)cc1.
What is the InChIKey of (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane?
The InChIKey is YEWYKPGXCHLPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-5,7-14H,2,6H2.
What are the key properties of (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane?
(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane has a molecular weight of 343.20 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane is sourced from PubChem (CID 166796367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).