1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one

C26H36O4 — CID 143007349

IUPAC1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one
SMILESCCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C)cc2)c(C(=O)C(C)C)c1
InChIInChI=1S/C26H36O4/c1-8-20-9-14-24(23(17-20)25(27)18(2)3)29-19(4)15-16-28-21-10-12-22(13-11-21)30-26(5,6)7/h9-14,17-19H,8,15-16H2,1-7H3
InChIKeyVEOLAFHJWGBFJQ-UHFFFAOYSA-N
MW412.57 g/mol
LogP6.50
Rot. Bonds10

About 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one

1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one (PubChem CID 143007349) has the molecular formula C26H36O4 and a molecular weight of 412.57 g/mol. Its IUPAC name is 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one
PubChem CID143007349
Molecular FormulaC26H36O4
Molecular Weight412.57 g/mol
Exact Mass412.26
IUPAC Name1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one
SMILESCCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C)cc2)c(C(=O)C(C)C)c1
InChIInChI=1S/C26H36O4/c1-8-20-9-14-24(23(17-20)25(27)18(2)3)29-19(4)15-16-28-21-10-12-22(13-11-21)30-26(5,6)7/h9-14,17-19H,8,15-16H2,1-7H3
InChIKeyVEOLAFHJWGBFJQ-UHFFFAOYSA-N
XLogP6.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one with MolForge

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Related Compounds

[5-ethyl-2-[4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-phenylmethanone;formic acid
CID 143007374
2-[4-[3-(4-ethyl-2-phenylsulfanylphenoxy)butoxy]-2-methylphenoxy]-2-methylpropanoic acid
CID 58753769
3-[4-[(3R)-3-[4-ethyl-2-(N-methoxy-C-phenylcarbonimidoyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid
CID 87922701
1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one
CID 168997277
methyl 3-[4-[(3R)-3-[4-ethyl-2-(2-phenylpropan-2-yl)phenoxy]butoxy]-2-methylphenyl]propanoate
CID 58753955
3-[4-[3-[2-(1-benzothiophene-2-carbonyl)-4-ethylphenoxy]butoxy]-2-methylphenyl]propanoic acid
CID 58753835
ethyl 3-[2-ethyl-4-[(3R)-3-[4-ethyl-2-(2-methylphenoxy)phenoxy]butoxy]phenyl]propanoate
CID 58753906
methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate
CID 143007390
[(3R)-3-(2-benzoyl-4-ethylphenoxy)butyl] methanesulfonate
CID 58753967
2-[4-[3-[2-(benzenesulfinyl)-4-ethylphenoxy]butoxy]-2-methylphenyl]sulfanyl-2-methylpropanoic acid
CID 58753754
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
1-(4-butoxy-2-ethylphenyl)-2-methylpropan-1-one
CID 168997581

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one (CID 143007349) is 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one is CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C)cc2)c(C(=O)C(C)C)c1.
What is the InChIKey of 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one?
The InChIKey is VEOLAFHJWGBFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O4/c1-8-20-9-14-24(23(17-20)25(27)18(2)3)29-19(4)15-16-28-21-10-12-22(13-11-21)30-26(5,6)7/h9-14,17-19H,8,15-16H2,1-7H3.
What are the key properties of 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one?
1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one has a molecular weight of 412.57 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-2-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-yloxy]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 143007349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).