(3-bromophenyl)-ethoxyphosphanylmethanol

C9H12BrO2P — CID 70811233

IUPAC(3-bromophenyl)-ethoxyphosphanylmethanol
SMILESCCOPC(O)c1cccc(Br)c1
InChIInChI=1S/C9H12BrO2P/c1-2-12-13-9(11)7-4-3-5-8(10)6-7/h3-6,9,11,13H,2H2,1H3
InChIKeyHPLJBEBEYRTRNX-UHFFFAOYSA-N
MW263.07 g/mol
LogP3.07
Rot. Bonds4

About (3-bromophenyl)-ethoxyphosphanylmethanol

(3-bromophenyl)-ethoxyphosphanylmethanol (PubChem CID 70811233) has the molecular formula C9H12BrO2P and a molecular weight of 263.07 g/mol. Its IUPAC name is (3-bromophenyl)-ethoxyphosphanylmethanol.

Molecular Properties

Compound Name(3-bromophenyl)-ethoxyphosphanylmethanol
PubChem CID70811233
Molecular FormulaC9H12BrO2P
Molecular Weight263.07 g/mol
Exact Mass261.98
IUPAC Name(3-bromophenyl)-ethoxyphosphanylmethanol
SMILESCCOPC(O)c1cccc(Br)c1
InChIInChI=1S/C9H12BrO2P/c1-2-12-13-9(11)7-4-3-5-8(10)6-7/h3-6,9,11,13H,2H2,1H3
InChIKeyHPLJBEBEYRTRNX-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromophenyl)-ethoxymethanol
CID 142187361
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
2-(3-bromophenyl)pentan-3-ol
CID 79298699
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
(R)-(3-bromophenyl)-diethoxyphosphorylmethanol
CID 129391567
1-(3-bromophenyl)butan-1-ol
CID 18417756
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
(1S)-1-(3-bromophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81381142
ethyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]acetate
CID 81382026
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60746287

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-ethoxyphosphanylmethanol?
The IUPAC name of (3-bromophenyl)-ethoxyphosphanylmethanol (CID 70811233) is (3-bromophenyl)-ethoxyphosphanylmethanol.
What is the SMILES notation for (3-bromophenyl)-ethoxyphosphanylmethanol?
The canonical SMILES for (3-bromophenyl)-ethoxyphosphanylmethanol is CCOPC(O)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-ethoxyphosphanylmethanol?
The InChIKey is HPLJBEBEYRTRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrO2P/c1-2-12-13-9(11)7-4-3-5-8(10)6-7/h3-6,9,11,13H,2H2,1H3.
What are the key properties of (3-bromophenyl)-ethoxyphosphanylmethanol?
(3-bromophenyl)-ethoxyphosphanylmethanol has a molecular weight of 263.07 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-ethoxyphosphanylmethanol is sourced from PubChem (CID 70811233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).