1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene

C25H27FO — CID 21269746

IUPAC1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene
SMILESCc1cccc(C(C)(C)CCCc2cccc(Oc3ccc(F)cc3)c2)c1
InChIInChI=1S/C25H27FO/c1-19-7-4-10-21(17-19)25(2,3)16-6-9-20-8-5-11-24(18-20)27-23-14-12-22(26)13-15-23/h4-5,7-8,10-15,17-18H,6,9,16H2,1-3H3
InChIKeyVYDSOCSMJYPINS-UHFFFAOYSA-N
MW362.49 g/mol
LogP7.23
Rot. Bonds7

About 1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene

1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene (PubChem CID 21269746) has the molecular formula C25H27FO and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene
PubChem CID21269746
Molecular FormulaC25H27FO
Molecular Weight362.49 g/mol
Exact Mass362.20
IUPAC Name1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene
SMILESCc1cccc(C(C)(C)CCCc2cccc(Oc3ccc(F)cc3)c2)c1
InChIInChI=1S/C25H27FO/c1-19-7-4-10-21(17-19)25(2,3)16-6-9-20-8-5-11-24(18-20)27-23-14-12-22(26)13-15-23/h4-5,7-8,10-15,17-18H,6,9,16H2,1-3H3
InChIKeyVYDSOCSMJYPINS-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

1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene
CID 21269757
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-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
4-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-2-(3-methylphenoxy)benzene
CID 21269768
1-chloro-4-[6-[3-(4-fluorophenoxy)phenyl]-3-methylhex-1-yn-3-yl]benzene
CID 88645740
1-fluoro-4-(3-propylphenoxy)benzene
CID 54416846
1-bromo-2-chloro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269797
1-fluoro-4-[3-[4-methyl-4-(4-propan-2-yloxyphenyl)hex-5-ynyl]phenoxy]benzene
CID 88645366
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 1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene?
The IUPAC name of 1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene (CID 21269746) is 1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene?
The canonical SMILES for 1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene is Cc1cccc(C(C)(C)CCCc2cccc(Oc3ccc(F)cc3)c2)c1.
What is the InChIKey of 1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene?
The InChIKey is VYDSOCSMJYPINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FO/c1-19-7-4-10-21(17-19)25(2,3)16-6-9-20-8-5-11-24(18-20)27-23-14-12-22(26)13-15-23/h4-5,7-8,10-15,17-18H,6,9,16H2,1-3H3.
What are the key properties of 1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene?
1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene 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-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene is sourced from PubChem (CID 21269746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).