[2-(4-bromophenyl)phenoxy]-diphenylphosphane

C24H18BrOP — CID 175562571

IUPAC[2-(4-bromophenyl)phenoxy]-diphenylphosphane
SMILESBrc1ccc(-c2ccccc2OP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18BrOP/c25-20-17-15-19(16-18-20)23-13-7-8-14-24(23)26-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H
InChIKeyRXDMCPXVKPSFFX-UHFFFAOYSA-N
MW433.29 g/mol
LogP6.54
Rot. Bonds5

About [2-(4-bromophenyl)phenoxy]-diphenylphosphane

[2-(4-bromophenyl)phenoxy]-diphenylphosphane (PubChem CID 175562571) has the molecular formula C24H18BrOP and a molecular weight of 433.29 g/mol. Its IUPAC name is [2-(4-bromophenyl)phenoxy]-diphenylphosphane.

Molecular Properties

Compound Name[2-(4-bromophenyl)phenoxy]-diphenylphosphane
PubChem CID175562571
Molecular FormulaC24H18BrOP
Molecular Weight433.29 g/mol
Exact Mass432.03
IUPAC Name[2-(4-bromophenyl)phenoxy]-diphenylphosphane
SMILESBrc1ccc(-c2ccccc2OP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18BrOP/c25-20-17-15-19(16-18-20)23-13-7-8-14-24(23)26-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H
InChIKeyRXDMCPXVKPSFFX-UHFFFAOYSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 56.54
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

(2,6-diphenylphenoxy)-diphenylphosphane
CID 86065519
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
[2-(9H-fluoren-1-yl)phenoxy]-diphenylphosphane
CID 141312348
diphenyl-(4-phenylphenoxy)phosphane
CID 21433738
1-(4-bromophenyl)-4-(2-methoxyphenyl)naphthalene
CID 102287803
phenoxy(diphenyl)phosphane
CID 11543680
(2,8-dibromodibenzothiophen-4-yl)oxy-diphenylphosphane
CID 141313665
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
(1-bromo-6-diphenylphosphanyloxydibenzothiophen-4-yl)oxy-diphenylphosphane
CID 141312339
1-bromo-4-[2-[[2-(4-bromophenyl)phenyl]methyl]phenyl]benzene
CID 22630429

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)phenoxy]-diphenylphosphane?
The IUPAC name of [2-(4-bromophenyl)phenoxy]-diphenylphosphane (CID 175562571) is [2-(4-bromophenyl)phenoxy]-diphenylphosphane.
What is the SMILES notation for [2-(4-bromophenyl)phenoxy]-diphenylphosphane?
The canonical SMILES for [2-(4-bromophenyl)phenoxy]-diphenylphosphane is Brc1ccc(-c2ccccc2OP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-bromophenyl)phenoxy]-diphenylphosphane?
The InChIKey is RXDMCPXVKPSFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrOP/c25-20-17-15-19(16-18-20)23-13-7-8-14-24(23)26-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H.
What are the key properties of [2-(4-bromophenyl)phenoxy]-diphenylphosphane?
[2-(4-bromophenyl)phenoxy]-diphenylphosphane has a molecular weight of 433.29 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)phenoxy]-diphenylphosphane is sourced from PubChem (CID 175562571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).