(Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol

C28H23BrFO2P — CID 170557620

IUPAC(Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol
SMILESO=P(/C(F)=C(/CC(O)c1ccccc1)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23BrFO2P/c29-23-18-16-21(17-19-23)26(20-27(31)22-10-4-1-5-11-22)28(30)33(32,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27,31H,20H2/b28-26-
InChIKeyLXQHROMEOCGJDS-SGEDCAFJSA-N
MW521.37 g/mol
LogP7.22
Rot. Bonds7

About (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol

(Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol (PubChem CID 170557620) has the molecular formula C28H23BrFO2P and a molecular weight of 521.37 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol
PubChem CID170557620
Molecular FormulaC28H23BrFO2P
Molecular Weight521.37 g/mol
Exact Mass520.06
IUPAC Name(Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol
SMILESO=P(/C(F)=C(/CC(O)c1ccccc1)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23BrFO2P/c29-23-18-16-21(17-19-23)26(20-27(31)22-10-4-1-5-11-22)28(30)33(32,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27,31H,20H2/b28-26-
InChIKeyLXQHROMEOCGJDS-SGEDCAFJSA-N
XLogP7.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.37
LogP ≤ 57.22
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-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol
CID 175524020
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
(3S)-1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropan-1-one
CID 102126305
N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine
CID 133064792
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638
(2R,4E)-4-(4-bromophenyl)-2-diphenylphosphoryl-4-hydroxyiminobutanoic acid
CID 92535132
1-bromo-4-[4,4-difluoro-3-(4-methoxyphenyl)-1-phenylbut-3-enyl]benzene
CID 168720186
3-(4-bromophenyl)-3-hydroxy-N-phenylpropanamide
CID 22142303
1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone
CID 175041062
1-(4-bromophenyl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
CID 110177571
1-(4-bromophenyl)-3-phenylbutan-1-one
CID 143974800
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol?
The IUPAC name of (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol (CID 170557620) is (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol?
The canonical SMILES for (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol is O=P(/C(F)=C(/CC(O)c1ccccc1)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol?
The InChIKey is LXQHROMEOCGJDS-SGEDCAFJSA-N. The full InChI is InChI=1S/C28H23BrFO2P/c29-23-18-16-21(17-19-23)26(20-27(31)22-10-4-1-5-11-22)28(30)33(32,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27,31H,20H2/b28-26-.
What are the key properties of (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol?
(Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol has a molecular weight of 521.37 g/mol, XLogP of 7.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 170557620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).