1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene

C17H26O2 — CID 91115860

IUPAC1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene
SMILESCCCCC(CC)COc1ccc(C=COC)cc1
InChIInChI=1S/C17H26O2/c1-4-6-7-15(5-2)14-19-17-10-8-16(9-11-17)12-13-18-3/h8-13,15H,4-7,14H2,1-3H3
InChIKeyLBRBZLLRPRMAKX-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.90
Rot. Bonds9

About 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene

1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene (PubChem CID 91115860) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene
PubChem CID91115860
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene
SMILESCCCCC(CC)COc1ccc(C=COC)cc1
InChIInChI=1S/C17H26O2/c1-4-6-7-15(5-2)14-19-17-10-8-16(9-11-17)12-13-18-3/h8-13,15H,4-7,14H2,1-3H3
InChIKeyLBRBZLLRPRMAKX-UHFFFAOYSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
2,5-dibromo-3-[(E)-2-[4-[(E)-2-[4-(2-ethylhexoxy)phenyl]ethenyl]phenyl]ethenyl]thiophene
CID 101392914
6-[(E)-2-[4-[(E)-2-[4-(2-ethylhexoxy)phenyl]ethenyl]phenyl]ethenyl]-2,3-dihydrophthalazine-1,4-dione
CID 11627372
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
2-(2-ethylhexoxy)-6-ethynylnaphthalene
CID 102147077
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
3,5-bis[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzaldehyde
CID 87321232
2-ethylhexyl (E)-3-[4-[5-[4-[(E)-3-(2-ethylhexoxy)-3-oxoprop-1-enyl]phenoxy]pentoxy]phenyl]prop-2-enoate
CID 10985001
1,4-bis(2-ethylhexoxy)-2,5-bis[(E)-2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 101390382
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene?
The IUPAC name of 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene (CID 91115860) is 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene.
What is the SMILES notation for 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene?
The canonical SMILES for 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene is CCCCC(CC)COc1ccc(C=COC)cc1.
What is the InChIKey of 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene?
The InChIKey is LBRBZLLRPRMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-6-7-15(5-2)14-19-17-10-8-16(9-11-17)12-13-18-3/h8-13,15H,4-7,14H2,1-3H3.
What are the key properties of 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene?
1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene has a molecular weight of 262.39 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene is sourced from PubChem (CID 91115860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).