1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene

C24H24F2O — CID 21269950

IUPAC1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
SMILESCC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H24F2O/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
InChIKeyBNDKTAKTVYRAFF-UHFFFAOYSA-N
MW366.45 g/mol
LogP7.06
Rot. Bonds7

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

1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene (PubChem CID 21269950) has the molecular formula C24H24F2O and a molecular weight of 366.45 g/mol. Its IUPAC name is 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
PubChem CID21269950
Molecular FormulaC24H24F2O
Molecular Weight366.45 g/mol
Exact Mass366.18
IUPAC Name1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
SMILESCC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H24F2O/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
InChIKeyBNDKTAKTVYRAFF-UHFFFAOYSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269797
1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 21269875
1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene
CID 21269746
1-[4-methyl-4-(4-nitrophenyl)pentyl]-3-phenoxybenzene
CID 21269669
1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene
CID 21269757
1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 21269868
1-(2,2-dichloroethenoxy)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269733
1-butan-2-yloxy-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269835
2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene
CID 21269674
1-fluoro-4-[4-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]pentyl]-2-phenoxybenzene
CID 54014319

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene?
The IUPAC name of 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene (CID 21269950) is 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene?
The canonical SMILES for 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene is CC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene?
The InChIKey is BNDKTAKTVYRAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O/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 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene?
1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene has a molecular weight of 366.45 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene is sourced from PubChem (CID 21269950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).