1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene

C24H23Br2FO — CID 21269868

IUPAC1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
SMILESCC(C)(CCCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Br)c(Br)c1
InChIInChI=1S/C24H23Br2FO/c1-24(2,18-11-12-20(25)21(26)16-18)14-6-7-17-10-13-22(27)23(15-17)28-19-8-4-3-5-9-19/h3-5,8-13,15-16H,6-7,14H2,1-2H3
InChIKeyAKMYYVFIEWNDOM-UHFFFAOYSA-N
MW506.25 g/mol
LogP8.44
Rot. Bonds7

About 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene

1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene (PubChem CID 21269868) has the molecular formula C24H23Br2FO and a molecular weight of 506.25 g/mol. Its IUPAC name is 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene.

Molecular Properties

Compound Name1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
PubChem CID21269868
Molecular FormulaC24H23Br2FO
Molecular Weight506.25 g/mol
Exact Mass504.01
IUPAC Name1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
SMILESCC(C)(CCCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Br)c(Br)c1
InChIInChI=1S/C24H23Br2FO/c1-24(2,18-11-12-20(25)21(26)16-18)14-6-7-17-10-13-22(27)23(15-17)28-19-8-4-3-5-9-19/h3-5,8-13,15-16H,6-7,14H2,1-2H3
InChIKeyAKMYYVFIEWNDOM-UHFFFAOYSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.25
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene
CID 21269757
1-fluoro-4-[4-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]pentyl]-2-phenoxybenzene
CID 54014319
2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene
CID 21269692
1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269950
4-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-2-(3-methylphenoxy)benzene
CID 21269768
2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]phenol
CID 139695064
1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269797
1-chloro-2-fluoro-4-[6-(4-fluoro-3-phenoxyphenyl)-3-methylhex-1-en-3-yl]benzene
CID 70414183
1-fluoro-2-(2-fluorophenoxy)-4-[4-methyl-4-(4-methylsulfanylphenyl)pentyl]benzene
CID 70390745
1,2-diethoxy-4-[6-(4-fluoro-3-phenoxyphenyl)-3-methylhex-1-en-3-yl]benzene
CID 70412699
1-chloro-2-fluoro-4-[6-(4-fluoro-3-phenoxyphenyl)-1-iodo-3-methylhex-1-en-3-yl]benzene
CID 173402048
6-(4-fluoro-3-phenoxyphenyl)-3-methyl-3-(4-propan-2-yloxyphenyl)hexan-2-one
CID 139767367

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene?
The IUPAC name of 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene (CID 21269868) is 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene.
What is the SMILES notation for 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene?
The canonical SMILES for 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene is CC(C)(CCCc1ccc(F)c(Oc2ccccc2)c1)c1ccc(Br)c(Br)c1.
What is the InChIKey of 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene?
The InChIKey is AKMYYVFIEWNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Br2FO/c1-24(2,18-11-12-20(25)21(26)16-18)14-6-7-17-10-13-22(27)23(15-17)28-19-8-4-3-5-9-19/h3-5,8-13,15-16H,6-7,14H2,1-2H3.
What are the key properties of 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene?
1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene has a molecular weight of 506.25 g/mol, XLogP of 8.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene is sourced from PubChem (CID 21269868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).