1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane

C24H31Br2OP — CID 155269265

IUPAC1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane
SMILESBrc1ccccc1Oc1ccccc1Br.C1CCC(PC2CCCCC2)CC1
InChIInChI=1S/C12H8Br2O.C12H23P/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8H;11-13H,1-10H2
InChIKeyKXLJYCPIXQRNBK-UHFFFAOYSA-N
MW526.29 g/mol
LogP9.33
Rot. Bonds4

About 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane

1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane (PubChem CID 155269265) has the molecular formula C24H31Br2OP and a molecular weight of 526.29 g/mol. Its IUPAC name is 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane.

Molecular Properties

Compound Name1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane
PubChem CID155269265
Molecular FormulaC24H31Br2OP
Molecular Weight526.29 g/mol
Exact Mass524.05
IUPAC Name1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane
SMILESBrc1ccccc1Oc1ccccc1Br.C1CCC(PC2CCCCC2)CC1
InChIInChI=1S/C12H8Br2O.C12H23P/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8H;11-13H,1-10H2
InChIKeyKXLJYCPIXQRNBK-UHFFFAOYSA-N
XLogP9.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.29
LogP ≤ 59.33
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

1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
cyclododecyl(cyclopropyl)phosphane
CID 69425218
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
di(cyclodecyl)phosphane
CID 18705980
cyclobutyl(cyclooctyl)phosphane
CID 69424806
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
1-bromo-2-methoxybenzene;ethane
CID 91096433
1-(2-bromophenoxy)piperidine
CID 69070493
2-bromo-6-(2-bromophenoxy)benzonitrile
CID 114881565
CID 164898393
CID 164898393
5-(2-bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 65272231
1,2-dicyclohexyloxybenzene
CID 67331328

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane?
The IUPAC name of 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane (CID 155269265) is 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane.
What is the SMILES notation for 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane?
The canonical SMILES for 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane is Brc1ccccc1Oc1ccccc1Br.C1CCC(PC2CCCCC2)CC1.
What is the InChIKey of 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane?
The InChIKey is KXLJYCPIXQRNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O.C12H23P/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8H;11-13H,1-10H2.
What are the key properties of 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane?
1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane has a molecular weight of 526.29 g/mol, XLogP of 9.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane is sourced from PubChem (CID 155269265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).