1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde

C109H146O14 — CID 158197808

IUPAC1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde
SMILESCCC(C)c1ccc(OC(C)OCCCc2ccc(C)cc2C)cc1.CCC(C)c1ccc(OC(C)OCCCc2ccc(OC)cc2)cc1.CCC(C)c1ccc(OC(C)OCCCc2ccc(OC)cc2C=O)cc1.CCC(C)c1ccc(OC(C)OCc2ccc(C)cc2C)cc1.CCC(C)c1ccc(OC(C)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30O4.C23H32O2.C22H30O3.C21H28O2.C20H26O3/c1-5-17(2)19-8-11-22(12-9-19)27-18(3)26-14-6-7-20-10-13-23(25-4)15-21(20)16-24;1-6-18(3)22-11-13-23(14-12-22)25-20(5)24-15-7-8-21-10-9-17(2)16-19(21)4;1-5-17(2)20-10-14-22(15-11-20)25-18(3)24-16-6-7-19-8-12-21(23-4)13-9-19;1-6-16(3)19-9-11-21(12-10-19)23-18(5)22-14-20-8-7-15(2)13-17(20)4;1-5-15(2)18-8-12-20(13-9-18)23-16(3)22-14-17-6-10-19(21-4)11-7-17/h8-13,15-18H,5-7,14H2,1-4H3;9-14,16,18,20H,6-8,15H2,1-5H3;8-15,17-18H,5-7,16H2,1-4H3;7-13,16,18H,6,14H2,1-5H3;6-13,15-16H,5,14H2,1-4H3
InChIKeyGANZBNSUTAYJJA-UHFFFAOYSA-N
MW1680.35 g/mol
LogP28.08
Rot. Bonds45

About 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde

1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde (PubChem CID 158197808) has the molecular formula C109H146O14 and a molecular weight of 1680.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde
PubChem CID158197808
Molecular FormulaC109H146O14
Molecular Weight1680.35 g/mol
Exact Mass1679.07
IUPAC Name1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde
SMILESCCC(C)c1ccc(OC(C)OCCCc2ccc(C)cc2C)cc1.CCC(C)c1ccc(OC(C)OCCCc2ccc(OC)cc2)cc1.CCC(C)c1ccc(OC(C)OCCCc2ccc(OC)cc2C=O)cc1.CCC(C)c1ccc(OC(C)OCc2ccc(C)cc2C)cc1.CCC(C)c1ccc(OC(C)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30O4.C23H32O2.C22H30O3.C21H28O2.C20H26O3/c1-5-17(2)19-8-11-22(12-9-19)27-18(3)26-14-6-7-20-10-13-23(25-4)15-21(20)16-24;1-6-18(3)22-11-13-23(14-12-22)25-20(5)24-15-7-8-21-10-9-17(2)16-19(21)4;1-5-17(2)20-10-14-22(15-11-20)25-18(3)24-16-6-7-19-8-12-21(23-4)13-9-19;1-6-16(3)19-9-11-21(12-10-19)23-18(5)22-14-20-8-7-15(2)13-17(20)4;1-5-15(2)18-8-12-20(13-9-18)23-16(3)22-14-17-6-10-19(21-4)11-7-17/h8-13,15-18H,5-7,14H2,1-4H3;9-14,16,18,20H,6-8,15H2,1-5H3;8-15,17-18H,5-7,16H2,1-4H3;7-13,16,18H,6,14H2,1-5H3;6-13,15-16H,5,14H2,1-4H3
InChIKeyGANZBNSUTAYJJA-UHFFFAOYSA-N
XLogP28.08
TPSA137.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds45
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001680.35
LogP ≤ 528.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde with MolForge

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Related Compounds

1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene
CID 21363352
1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
CID 58079015
1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
2-butyl-5-methoxybenzaldehyde
CID 10631601
1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
CID 145055463
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
2-methoxy-6-[1-[3-(4-methoxyphenyl)propoxy]ethyl]naphthalene
CID 156596309
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 146697935
1-butan-2-yl-4-[1-[3-(3-cyclohexylphenyl)propoxy]ethoxy]benzene
CID 88993256

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde?
The IUPAC name of 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde (CID 158197808) is 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde.
What is the SMILES notation for 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde?
The canonical SMILES for 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde is CCC(C)c1ccc(OC(C)OCCCc2ccc(C)cc2C)cc1.CCC(C)c1ccc(OC(C)OCCCc2ccc(OC)cc2)cc1.CCC(C)c1ccc(OC(C)OCCCc2ccc(OC)cc2C=O)cc1.CCC(C)c1ccc(OC(C)OCc2ccc(C)cc2C)cc1.CCC(C)c1ccc(OC(C)OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde?
The InChIKey is GANZBNSUTAYJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4.C23H32O2.C22H30O3.C21H28O2.C20H26O3/c1-5-17(2)19-8-11-22(12-9-19)27-18(3)26-14-6-7-20-10-13-23(25-4)15-21(20)16-24;1-6-18(3)22-11-13-23(14-12-22)25-20(5)24-15-7-8-21-10-9-17(2)16-19(21)4;1-5-17(2)20-10-14-22(15-11-20)25-18(3)24-16-6-7-19-8-12-21(23-4)13-9-19;1-6-16(3)19-9-11-21(12-10-19)23-18(5)22-14-20-8-7-15(2)13-17(20)4;1-5-15(2)18-8-12-20(13-9-18)23-16(3)22-14-17-6-10-19(21-4)11-7-17/h8-13,15-18H,5-7,14H2,1-4H3;9-14,16,18,20H,6-8,15H2,1-5H3;8-15,17-18H,5-7,16H2,1-4H3;7-13,16,18H,6,14H2,1-5H3;6-13,15-16H,5,14H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde?
1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde has a molecular weight of 1680.35 g/mol, XLogP of 28.08, 45 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1-[(4-methoxyphenyl)methoxy]ethoxy]benzene;1-butan-2-yl-4-[1-[3-(4-methoxyphenyl)propoxy]ethoxy]benzene;1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene;1-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-2,4-dimethylbenzene;2-[3-[1-(4-butan-2-ylphenoxy)ethoxy]propyl]-5-methoxybenzaldehyde is sourced from PubChem (CID 158197808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).