1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene

C24H24BrClO — CID 21269797

IUPAC1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
SMILESCC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C24H24BrClO/c1-24(2,19-13-14-22(25)23(26)17-19)15-7-9-18-8-6-12-21(16-18)27-20-10-4-3-5-11-20/h3-6,8,10-14,16-17H,7,9,15H2,1-2H3
InChIKeyKXRJFFVTJHLQDA-UHFFFAOYSA-N
MW443.81 g/mol
LogP8.20
Rot. Bonds7

About 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene

1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene (PubChem CID 21269797) has the molecular formula C24H24BrClO and a molecular weight of 443.81 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
PubChem CID21269797
Molecular FormulaC24H24BrClO
Molecular Weight443.81 g/mol
Exact Mass442.07
IUPAC Name1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
SMILESCC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C24H24BrClO/c1-24(2,19-13-14-22(25)23(26)17-19)15-7-9-18-8-6-12-21(16-18)27-20-10-4-3-5-11-20/h3-6,8,10-14,16-17H,7,9,15H2,1-2H3
InChIKeyKXRJFFVTJHLQDA-UHFFFAOYSA-N
XLogP8.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.81
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269950
1-[chloro(difluoro)methoxy]-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 14155768
4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]-1,2-bis(trifluoromethoxy)benzene
CID 21269700
1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 21269875
1-(2,2-dichloroethenoxy)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269733
1-[4-methyl-4-(4-nitrophenyl)pentyl]-3-phenoxybenzene
CID 21269669
1-butan-2-yloxy-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269835
1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 21269868
1-bromo-2-[4-methyl-4-(4-methylphenyl)pentyl]-4-phenoxybenzene
CID 21269736
1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene
CID 21269746
1-bromo-3-chloro-2-ethoxy-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 19880749
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene?
The IUPAC name of 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene (CID 21269797) is 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene?
The canonical SMILES for 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene is CC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene?
The InChIKey is KXRJFFVTJHLQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClO/c1-24(2,19-13-14-22(25)23(26)17-19)15-7-9-18-8-6-12-21(16-18)27-20-10-4-3-5-11-20/h3-6,8,10-14,16-17H,7,9,15H2,1-2H3.
What are the key properties of 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene?
1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene has a molecular weight of 443.81 g/mol, XLogP of 8.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene is sourced from PubChem (CID 21269797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).