1-butyl-3-(2-propylpentoxy)benzene

C18H30O — CID 69097315

IUPAC1-butyl-3-(2-propylpentoxy)benzene
SMILESCCCCc1cccc(OCC(CCC)CCC)c1
InChIInChI=1S/C18H30O/c1-4-7-11-16-12-8-13-18(14-16)19-15-17(9-5-2)10-6-3/h8,12-14,17H,4-7,9-11,15H2,1-3H3
InChIKeyBXOHHHAEWOJQPN-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.62
Rot. Bonds10

About 1-butyl-3-(2-propylpentoxy)benzene

1-butyl-3-(2-propylpentoxy)benzene (PubChem CID 69097315) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-butyl-3-(2-propylpentoxy)benzene.

Molecular Properties

Compound Name1-butyl-3-(2-propylpentoxy)benzene
PubChem CID69097315
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-butyl-3-(2-propylpentoxy)benzene
SMILESCCCCc1cccc(OCC(CCC)CCC)c1
InChIInChI=1S/C18H30O/c1-4-7-11-16-12-8-13-18(14-16)19-15-17(9-5-2)10-6-3/h8,12-14,17H,4-7,9-11,15H2,1-3H3
InChIKeyBXOHHHAEWOJQPN-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(2-propylpentoxy)phenyl]propylhydrazine
CID 170000414
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
CID 126619606
4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol
CID 139783783
1-(3-chloro-2-methylhexoxy)-3-pentadecylbenzene
CID 173358957
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
1-(6-chloro-2-methylhexoxy)-3-pentadecylbenzene
CID 54090557
3-[3-(2-ethylbutoxy)phenyl]propylhydrazine
CID 170000412
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-propylpentoxy)benzene?
The IUPAC name of 1-butyl-3-(2-propylpentoxy)benzene (CID 69097315) is 1-butyl-3-(2-propylpentoxy)benzene.
What is the SMILES notation for 1-butyl-3-(2-propylpentoxy)benzene?
The canonical SMILES for 1-butyl-3-(2-propylpentoxy)benzene is CCCCc1cccc(OCC(CCC)CCC)c1.
What is the InChIKey of 1-butyl-3-(2-propylpentoxy)benzene?
The InChIKey is BXOHHHAEWOJQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-4-7-11-16-12-8-13-18(14-16)19-15-17(9-5-2)10-6-3/h8,12-14,17H,4-7,9-11,15H2,1-3H3.
What are the key properties of 1-butyl-3-(2-propylpentoxy)benzene?
1-butyl-3-(2-propylpentoxy)benzene has a molecular weight of 262.44 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-propylpentoxy)benzene is sourced from PubChem (CID 69097315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).