(2-bromophenyl)methyl-butoxyphosphinous acid

C11H16BrO2P — CID 11507568

IUPAC(2-bromophenyl)methyl-butoxyphosphinous acid
SMILESCCCCOP(O)Cc1ccccc1Br
InChIInChI=1S/C11H16BrO2P/c1-2-3-8-14-15(13)9-10-6-4-5-7-11(10)12/h4-7,13H,2-3,8-9H2,1H3
InChIKeySTHSCIQWQIETRM-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.07
Rot. Bonds6

About (2-bromophenyl)methyl-butoxyphosphinous acid

(2-bromophenyl)methyl-butoxyphosphinous acid (PubChem CID 11507568) has the molecular formula C11H16BrO2P and a molecular weight of 291.12 g/mol. Its IUPAC name is (2-bromophenyl)methyl-butoxyphosphinous acid.

Molecular Properties

Compound Name(2-bromophenyl)methyl-butoxyphosphinous acid
PubChem CID11507568
Molecular FormulaC11H16BrO2P
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name(2-bromophenyl)methyl-butoxyphosphinous acid
SMILESCCCCOP(O)Cc1ccccc1Br
InChIInChI=1S/C11H16BrO2P/c1-2-3-8-14-15(13)9-10-6-4-5-7-11(10)12/h4-7,13H,2-3,8-9H2,1H3
InChIKeySTHSCIQWQIETRM-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl) dibutyl phosphite
CID 134288649
4-O-[2-(2-bromophenyl)ethyl] 1-O-decyl butanedioate
CID 91727956
1-bromo-2-(nonylsulfonylmethyl)benzene
CID 167684475
heptoxy(phenyl)phosphinous acid
CID 12959801
5-O-[(2-bromophenyl)methyl] 1-O-pentadecyl pentanedioate
CID 91708468
2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
butoxy-ethoxy-phenylphosphane;ethane
CID 142525942
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
benzyl dodecyl hydrogen phosphite
CID 161198417
1,1'-biphenyl;ethyl hexyl hydrogen phosphite
CID 67071902
benzyl hexyl hydrogen phosphite
CID 174676176
ethoxy-hexoxy-phenylphosphane
CID 154163043

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl-butoxyphosphinous acid?
The IUPAC name of (2-bromophenyl)methyl-butoxyphosphinous acid (CID 11507568) is (2-bromophenyl)methyl-butoxyphosphinous acid.
What is the SMILES notation for (2-bromophenyl)methyl-butoxyphosphinous acid?
The canonical SMILES for (2-bromophenyl)methyl-butoxyphosphinous acid is CCCCOP(O)Cc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methyl-butoxyphosphinous acid?
The InChIKey is STHSCIQWQIETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrO2P/c1-2-3-8-14-15(13)9-10-6-4-5-7-11(10)12/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of (2-bromophenyl)methyl-butoxyphosphinous acid?
(2-bromophenyl)methyl-butoxyphosphinous acid has a molecular weight of 291.12 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl-butoxyphosphinous acid is sourced from PubChem (CID 11507568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).