1-(2-methylbutyl)-3-phenoxybenzene

C17H20O — CID 54097168

IUPAC1-(2-methylbutyl)-3-phenoxybenzene
SMILESCCC(C)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H20O/c1-3-14(2)12-15-8-7-11-17(13-15)18-16-9-5-4-6-10-16/h4-11,13-14H,3,12H2,1-2H3
InChIKeyRQYGOFDPPVBZPZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP5.07
Rot. Bonds5

About 1-(2-methylbutyl)-3-phenoxybenzene

1-(2-methylbutyl)-3-phenoxybenzene (PubChem CID 54097168) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methylbutyl)-3-phenoxybenzene.

Molecular Properties

Compound Name1-(2-methylbutyl)-3-phenoxybenzene
PubChem CID54097168
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(2-methylbutyl)-3-phenoxybenzene
SMILESCCC(C)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H20O/c1-3-14(2)12-15-8-7-11-17(13-15)18-16-9-5-4-6-10-16/h4-11,13-14H,3,12H2,1-2H3
InChIKeyRQYGOFDPPVBZPZ-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
CID 151721910
3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine
CID 63456005
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
diethyl 2-[(3-phenoxyphenyl)methyl]propanedioate
CID 10569299
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
10-[3-[(2S)-2-methylbutyl]phenoxy]decanoic acid
CID 59600109
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-3-phenoxybenzene?
The IUPAC name of 1-(2-methylbutyl)-3-phenoxybenzene (CID 54097168) is 1-(2-methylbutyl)-3-phenoxybenzene.
What is the SMILES notation for 1-(2-methylbutyl)-3-phenoxybenzene?
The canonical SMILES for 1-(2-methylbutyl)-3-phenoxybenzene is CCC(C)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(2-methylbutyl)-3-phenoxybenzene?
The InChIKey is RQYGOFDPPVBZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-14(2)12-15-8-7-11-17(13-15)18-16-9-5-4-6-10-16/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)-3-phenoxybenzene?
1-(2-methylbutyl)-3-phenoxybenzene has a molecular weight of 240.35 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-3-phenoxybenzene is sourced from PubChem (CID 54097168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).