1-butyl-2-ethenylbenzene;2-ethoxyacetic acid

C16H24O3 — CID 174381438

IUPAC1-butyl-2-ethenylbenzene;2-ethoxyacetic acid
SMILESC=Cc1ccccc1CCCC.CCOCC(=O)O
InChIInChI=1S/C12H16.C4H8O3/c1-3-5-8-12-10-7-6-9-11(12)4-2;1-2-7-3-4(5)6/h4,6-7,9-10H,2-3,5,8H2,1H3;2-3H2,1H3,(H,5,6)
InChIKeyQQMXIRLLIFROQF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.78
Rot. Bonds7

About 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid

1-butyl-2-ethenylbenzene;2-ethoxyacetic acid (PubChem CID 174381438) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid.

Molecular Properties

Compound Name1-butyl-2-ethenylbenzene;2-ethoxyacetic acid
PubChem CID174381438
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-butyl-2-ethenylbenzene;2-ethoxyacetic acid
SMILESC=Cc1ccccc1CCCC.CCOCC(=O)O
InChIInChI=1S/C12H16.C4H8O3/c1-3-5-8-12-10-7-6-9-11(12)4-2;1-2-7-3-4(5)6/h4,6-7,9-10H,2-3,5,8H2,1H3;2-3H2,1H3,(H,5,6)
InChIKeyQQMXIRLLIFROQF-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
1-ethenyl-2-pentylbenzene
CID 22171756
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
5-(2-ethenylphenyl)pentanoic acid
CID 91512730
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
butoxybenzene;2-ethoxyacetic acid
CID 174498357
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
butyl prop-2-enoate;1-(chloromethyl)-2-ethenylbenzene;ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 6452624

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid?
The IUPAC name of 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid (CID 174381438) is 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid.
What is the SMILES notation for 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid?
The canonical SMILES for 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid is C=Cc1ccccc1CCCC.CCOCC(=O)O.
What is the InChIKey of 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid?
The InChIKey is QQMXIRLLIFROQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C4H8O3/c1-3-5-8-12-10-7-6-9-11(12)4-2;1-2-7-3-4(5)6/h4,6-7,9-10H,2-3,5,8H2,1H3;2-3H2,1H3,(H,5,6).
What are the key properties of 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid?
1-butyl-2-ethenylbenzene;2-ethoxyacetic acid has a molecular weight of 264.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethenylbenzene;2-ethoxyacetic acid is sourced from PubChem (CID 174381438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).