1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene

C18H21FO — CID 151721910

IUPAC1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
SMILESCC(CF)CCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H21FO/c1-15(14-19)7-5-8-16-9-6-12-18(13-16)20-17-10-3-2-4-11-17/h2-4,6,9-13,15H,5,7-8,14H2,1H3
InChIKeyRITLSDNHRZDYLS-UHFFFAOYSA-N
MW272.36 g/mol
LogP5.41
Rot. Bonds7

About 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene

1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene (PubChem CID 151721910) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene.

Molecular Properties

Compound Name1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
PubChem CID151721910
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
SMILESCC(CF)CCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H21FO/c1-15(14-19)7-5-8-16-9-6-12-18(13-16)20-17-10-3-2-4-11-17/h2-4,6,9-13,15H,5,7-8,14H2,1H3
InChIKeyRITLSDNHRZDYLS-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.36
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
N-[3-(3-phenoxyphenyl)propyl]nitrous amide
CID 19736886
(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
CID 24748047
1-phenoxy-3-[5,5,5-trifluoro-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentyl]benzene
CID 21282141
[(2S)-1-methoxypropan-2-yl]-[(3-phenoxyphenyl)methyl]azanium
CID 7324156

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene?
The IUPAC name of 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene (CID 151721910) is 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene.
What is the SMILES notation for 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene?
The canonical SMILES for 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene is CC(CF)CCCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene?
The InChIKey is RITLSDNHRZDYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-15(14-19)7-5-8-16-9-6-12-18(13-16)20-17-10-3-2-4-11-17/h2-4,6,9-13,15H,5,7-8,14H2,1H3.
What are the key properties of 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene?
1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene has a molecular weight of 272.36 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene is sourced from PubChem (CID 151721910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).