1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene

C25H27FO — CID 21269757

IUPAC1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene
SMILESCc1cccc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)c1
InChIInChI=1S/C25H27FO/c1-19-9-7-11-21(17-19)25(2,3)16-8-10-20-14-15-23(26)24(18-20)27-22-12-5-4-6-13-22/h4-7,9,11-15,17-18H,8,10,16H2,1-3H3
InChIKeyKYOZDXLCPBSCRB-UHFFFAOYSA-N
MW362.49 g/mol
LogP7.23
Rot. Bonds7

About 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene

1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene (PubChem CID 21269757) has the molecular formula C25H27FO and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene.

Molecular Properties

Compound Name1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene
PubChem CID21269757
Molecular FormulaC25H27FO
Molecular Weight362.49 g/mol
Exact Mass362.20
IUPAC Name1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene
SMILESCc1cccc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)c1
InChIInChI=1S/C25H27FO/c1-19-9-7-11-21(17-19)25(2,3)16-8-10-20-14-15-23(26)24(18-20)27-22-12-5-4-6-13-22/h4-7,9,11-15,17-18H,8,10,16H2,1-3H3
InChIKeyKYOZDXLCPBSCRB-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-2-(3-methylphenoxy)benzene
CID 21269768
1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 21269868
1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene
CID 21269746
1-fluoro-4-[4-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]pentyl]-2-phenoxybenzene
CID 54014319
1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269950
1-chloro-2-fluoro-4-[6-(4-fluoro-3-phenoxyphenyl)-3-methylhex-1-en-3-yl]benzene
CID 70414183
4-(8,8-dichloro-4,4-dimethylocta-5,7-dienyl)-1-fluoro-2-phenoxybenzene
CID 139608574
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
1-fluoro-2-(2-fluorophenoxy)-4-[4-methyl-4-(4-methylsulfanylphenyl)pentyl]benzene
CID 70390745
2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene
CID 21269692
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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene?
The IUPAC name of 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene (CID 21269757) is 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene.
What is the SMILES notation for 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene?
The canonical SMILES for 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene is Cc1cccc(C(C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2)c1.
What is the InChIKey of 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene?
The InChIKey is KYOZDXLCPBSCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FO/c1-19-9-7-11-21(17-19)25(2,3)16-8-10-20-14-15-23(26)24(18-20)27-22-12-5-4-6-13-22/h4-7,9,11-15,17-18H,8,10,16H2,1-3H3.
What are the key properties of 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene?
1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene has a molecular weight of 362.49 g/mol, XLogP of 7.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene is sourced from PubChem (CID 21269757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).