[4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane

C20H18BrOP — CID 140642123

IUPAC[4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane
SMILESCOc1ccccc1CPc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C20H18BrOP/c1-22-20-9-5-2-6-16(20)14-23-17-12-10-15(11-13-17)18-7-3-4-8-19(18)21/h2-13,23H,14H2,1H3
InChIKeyBHKCSEOLYAWGBX-UHFFFAOYSA-N
MW385.24 g/mol
LogP5.63
Rot. Bonds5

About [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane

[4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane (PubChem CID 140642123) has the molecular formula C20H18BrOP and a molecular weight of 385.24 g/mol. Its IUPAC name is [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane.

Molecular Properties

Compound Name[4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane
PubChem CID140642123
Molecular FormulaC20H18BrOP
Molecular Weight385.24 g/mol
Exact Mass384.03
IUPAC Name[4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane
SMILESCOc1ccccc1CPc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C20H18BrOP/c1-22-20-9-5-2-6-16(20)14-23-17-12-10-15(11-13-17)18-7-3-4-8-19(18)21/h2-13,23H,14H2,1H3
InChIKeyBHKCSEOLYAWGBX-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.24
LogP ≤ 55.63
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

(4-tert-butylphenyl)-[(2-methoxyphenyl)methyl]phosphane
CID 153344578
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-bromo-2-methoxybenzene;ethane
CID 91096433
[4-(2-bromophenyl)phenyl]-trimethoxysilane
CID 59244074
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
CID 145150198
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane?
The IUPAC name of [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane (CID 140642123) is [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane.
What is the SMILES notation for [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane?
The canonical SMILES for [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane is COc1ccccc1CPc1ccc(-c2ccccc2Br)cc1.
What is the InChIKey of [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane?
The InChIKey is BHKCSEOLYAWGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrOP/c1-22-20-9-5-2-6-16(20)14-23-17-12-10-15(11-13-17)18-7-3-4-8-19(18)21/h2-13,23H,14H2,1H3.
What are the key properties of [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane?
[4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane has a molecular weight of 385.24 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromophenyl)phenyl]-[(2-methoxyphenyl)methyl]phosphane is sourced from PubChem (CID 140642123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).