1-ethoxy-4-(2-ethylhexyl)benzene

C16H26O — CID 91334560

IUPAC1-ethoxy-4-(2-ethylhexyl)benzene
SMILESCCCCC(CC)Cc1ccc(OCC)cc1
InChIInChI=1S/C16H26O/c1-4-7-8-14(5-2)13-15-9-11-16(12-10-15)17-6-3/h9-12,14H,4-8,13H2,1-3H3
InChIKeyIRKAZFZALTYCHO-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.84
Rot. Bonds8

About 1-ethoxy-4-(2-ethylhexyl)benzene

1-ethoxy-4-(2-ethylhexyl)benzene (PubChem CID 91334560) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-ethoxy-4-(2-ethylhexyl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(2-ethylhexyl)benzene
PubChem CID91334560
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-ethoxy-4-(2-ethylhexyl)benzene
SMILESCCCCC(CC)Cc1ccc(OCC)cc1
InChIInChI=1S/C16H26O/c1-4-7-8-14(5-2)13-15-9-11-16(12-10-15)17-6-3/h9-12,14H,4-8,13H2,1-3H3
InChIKeyIRKAZFZALTYCHO-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
CID 131637875
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-ethoxy-N,N-bis(2-ethylhexyl)aniline
CID 59373143
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
tert-butyl 6-[(4-ethoxyphenyl)methyl]tridecanoate
CID 150865764
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
1-(2-ethylhexoxy)-4-[4-[4-[4-(2-ethylhexoxy)phenyl]butylperoxy]butyl]benzene
CID 175496106
1-chloro-4-[2-(chloromethyl)-4-ethyloctyl]benzene
CID 66035269
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(2-ethylhexyl)benzene?
The IUPAC name of 1-ethoxy-4-(2-ethylhexyl)benzene (CID 91334560) is 1-ethoxy-4-(2-ethylhexyl)benzene.
What is the SMILES notation for 1-ethoxy-4-(2-ethylhexyl)benzene?
The canonical SMILES for 1-ethoxy-4-(2-ethylhexyl)benzene is CCCCC(CC)Cc1ccc(OCC)cc1.
What is the InChIKey of 1-ethoxy-4-(2-ethylhexyl)benzene?
The InChIKey is IRKAZFZALTYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-4-7-8-14(5-2)13-15-9-11-16(12-10-15)17-6-3/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of 1-ethoxy-4-(2-ethylhexyl)benzene?
1-ethoxy-4-(2-ethylhexyl)benzene has a molecular weight of 234.38 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(2-ethylhexyl)benzene is sourced from PubChem (CID 91334560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).