2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene

C24H24ClFO — CID 21269674

IUPAC2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene
SMILESCC(C)(CCCc1cc(Oc2ccccc2)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFO/c1-24(2,19-10-12-20(25)13-11-19)16-6-7-18-17-22(14-15-23(18)26)27-21-8-4-3-5-9-21/h3-5,8-15,17H,6-7,16H2,1-2H3
InChIKeyJRJHWEANYXDOJX-UHFFFAOYSA-N
MW382.91 g/mol
LogP7.57
Rot. Bonds7

About 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene

2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene (PubChem CID 21269674) has the molecular formula C24H24ClFO and a molecular weight of 382.91 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene
PubChem CID21269674
Molecular FormulaC24H24ClFO
Molecular Weight382.91 g/mol
Exact Mass382.15
IUPAC Name2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene
SMILESCC(C)(CCCc1cc(Oc2ccccc2)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFO/c1-24(2,19-10-12-20(25)13-11-19)16-6-7-18-17-22(14-15-23(18)26)27-21-8-4-3-5-9-21/h3-5,8-15,17H,6-7,16H2,1-2H3
InChIKeyJRJHWEANYXDOJX-UHFFFAOYSA-N
XLogP7.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.91
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 21269875
1-bromo-2-[4-methyl-4-(4-methylphenyl)pentyl]-4-phenoxybenzene
CID 21269736
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-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-2-(3-methylphenoxy)benzene
CID 21269768
1-(2,2-dichloroethenoxy)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269733
2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene
CID 21269863
1-fluoro-4-[4-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]pentyl]-2-phenoxybenzene
CID 54014319
1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269797
1-chloro-4-[6-[3-(4-fluorophenoxy)phenyl]-3-methylhex-1-yn-3-yl]benzene
CID 88645740
1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 21269868
1-butan-2-yloxy-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269835

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene (CID 21269674) is 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene is CC(C)(CCCc1cc(Oc2ccccc2)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene?
The InChIKey is JRJHWEANYXDOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFO/c1-24(2,19-10-12-20(25)13-11-19)16-6-7-18-17-22(14-15-23(18)26)27-21-8-4-3-5-9-21/h3-5,8-15,17H,6-7,16H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene?
2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene has a molecular weight of 382.91 g/mol, XLogP of 7.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene is sourced from PubChem (CID 21269674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).