1-bromo-2-dicyclohexylphosphorylbenzene

C18H26BrOP — CID 102164543

IUPAC1-bromo-2-dicyclohexylphosphorylbenzene
SMILESO=P(c1ccccc1Br)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H26BrOP/c19-17-13-7-8-14-18(17)21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKeyLFLXCGKXHJXXKM-UHFFFAOYSA-N
MW369.28 g/mol
LogP6.10
Rot. Bonds3

About 1-bromo-2-dicyclohexylphosphorylbenzene

1-bromo-2-dicyclohexylphosphorylbenzene (PubChem CID 102164543) has the molecular formula C18H26BrOP and a molecular weight of 369.28 g/mol. Its IUPAC name is 1-bromo-2-dicyclohexylphosphorylbenzene.

Molecular Properties

Compound Name1-bromo-2-dicyclohexylphosphorylbenzene
PubChem CID102164543
Molecular FormulaC18H26BrOP
Molecular Weight369.28 g/mol
Exact Mass368.09
IUPAC Name1-bromo-2-dicyclohexylphosphorylbenzene
SMILESO=P(c1ccccc1Br)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H26BrOP/c19-17-13-7-8-14-18(17)21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKeyLFLXCGKXHJXXKM-UHFFFAOYSA-N
XLogP6.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.28
LogP ≤ 56.10
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-dicyclopropylphosphoryl-2-methylbenzene
CID 167253001
2-(2-dicyclohexylphosphorylphenyl)-1-methoxy-3-methylbenzene
CID 158416799
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
CID 12892172
dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene
CID 161477037
cyclohexyl-[2-(2,2,2-trifluoroethyl)phenyl]phosphinic acid
CID 66796646
(2-bromophenyl)-phenylphosphinic acid
CID 3066267
1-bromo-2-(2-bromophenoxy)benzene;dicyclohexylphosphane
CID 155269265
1-bromo-2-(2-dicyclohexylphosphorylethynyl)-3-nitrobenzene
CID 101416859
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
2-(dicyclohexylphosphorylmethyl)phenol
CID 164901340
dicyclopentylphosphorylcyclohexane
CID 177406372

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-dicyclohexylphosphorylbenzene?
The IUPAC name of 1-bromo-2-dicyclohexylphosphorylbenzene (CID 102164543) is 1-bromo-2-dicyclohexylphosphorylbenzene.
What is the SMILES notation for 1-bromo-2-dicyclohexylphosphorylbenzene?
The canonical SMILES for 1-bromo-2-dicyclohexylphosphorylbenzene is O=P(c1ccccc1Br)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-bromo-2-dicyclohexylphosphorylbenzene?
The InChIKey is LFLXCGKXHJXXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrOP/c19-17-13-7-8-14-18(17)21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2.
What are the key properties of 1-bromo-2-dicyclohexylphosphorylbenzene?
1-bromo-2-dicyclohexylphosphorylbenzene has a molecular weight of 369.28 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-dicyclohexylphosphorylbenzene is sourced from PubChem (CID 102164543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).