1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene

C19H24O3 — CID 2283423

IUPAC1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
SMILESCCOc1ccc(OCCCCOc2ccccc2C)cc1
InChIInChI=1S/C19H24O3/c1-3-20-17-10-12-18(13-11-17)21-14-6-7-15-22-19-9-5-4-8-16(19)2/h4-5,8-13H,3,6-7,14-15H2,1-2H3
InChIKeyCABGCPHCZWNQBO-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.63
Rot. Bonds9

About 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene

1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene (PubChem CID 2283423) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
PubChem CID2283423
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
SMILESCCOc1ccc(OCCCCOc2ccccc2C)cc1
InChIInChI=1S/C19H24O3/c1-3-20-17-10-12-18(13-11-17)21-14-6-7-15-22-19-9-5-4-8-16(19)2/h4-5,8-13H,3,6-7,14-15H2,1-2H3
InChIKeyCABGCPHCZWNQBO-UHFFFAOYSA-N
XLogP4.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
2-ethoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096107
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
CID 2288878
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
3-[3-(4-ethoxyphenoxy)propoxy]-4-methylaniline
CID 82097221

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene?
The IUPAC name of 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene (CID 2283423) is 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene.
What is the SMILES notation for 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene?
The canonical SMILES for 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene is CCOc1ccc(OCCCCOc2ccccc2C)cc1.
What is the InChIKey of 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene?
The InChIKey is CABGCPHCZWNQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-3-20-17-10-12-18(13-11-17)21-14-6-7-15-22-19-9-5-4-8-16(19)2/h4-5,8-13H,3,6-7,14-15H2,1-2H3.
What are the key properties of 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene?
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene has a molecular weight of 300.40 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene is sourced from PubChem (CID 2283423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).