1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde

C168H184N4O17S2 — CID 158698161

IUPAC1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
SMILESCCCCCCCCOc1ccc(-c2ccc(C)cc2)cc1.CCCCCCCCOc1ccc2c(c1)CCC2.CCCCCOc1ccc(-c2cc(-c3ccc(C=O)cc3)no2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)s2)cc1.CCCCCOc1ccc(-c2ncc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1
InChIInChI=1S/C24H24O2.C22H22O3.C22H22O2S.2C21H21NO3.C21H28O.C20H20N2O2S.C17H26O/c1-2-3-4-17-26-24-15-13-23(14-16-24)22-11-9-21(10-12-22)20-7-5-19(18-25)6-8-20;2*1-2-3-4-15-24-20-11-9-19(10-12-20)22-14-13-21(25-22)18-7-5-17(16-23)6-8-18;1-2-3-4-13-24-19-11-9-18(10-12-19)21-22-14-20(25-21)17-7-5-16(15-23)6-8-17;1-2-3-4-13-24-19-11-9-18(10-12-19)21-14-20(22-25-21)17-7-5-16(15-23)6-8-17;1-3-4-5-6-7-8-17-22-21-15-13-20(14-16-21)19-11-9-18(2)10-12-19;1-2-3-4-13-24-18-11-9-17(10-12-18)20-22-21-19(25-20)16-7-5-15(14-23)6-8-16;1-2-3-4-5-6-7-13-18-17-12-11-15-9-8-10-16(15)14-17/h5-16,18H,2-4,17H2,1H3;2*5-14,16H,2-4,15H2,1H3;2*5-12,14-15H,2-4,13H2,1H3;9-16H,3-8,17H2,1-2H3;5-12,14H,2-4,13H2,1H3;11-12,14H,2-10,13H2,1H3
InChIKeyIHEXEAKXSJIUHE-UHFFFAOYSA-N
MW2595.46 g/mol
LogP46.21
Rot. Bonds65

About 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde

1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde (PubChem CID 158698161) has the molecular formula C168H184N4O17S2 and a molecular weight of 2595.46 g/mol. Its IUPAC name is 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde.

Molecular Properties

Compound Name1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
PubChem CID158698161
Molecular FormulaC168H184N4O17S2
Molecular Weight2595.46 g/mol
Exact Mass2593.31
IUPAC Name1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
SMILESCCCCCCCCOc1ccc(-c2ccc(C)cc2)cc1.CCCCCCCCOc1ccc2c(c1)CCC2.CCCCCOc1ccc(-c2cc(-c3ccc(C=O)cc3)no2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)s2)cc1.CCCCCOc1ccc(-c2ncc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1
InChIInChI=1S/C24H24O2.C22H22O3.C22H22O2S.2C21H21NO3.C21H28O.C20H20N2O2S.C17H26O/c1-2-3-4-17-26-24-15-13-23(14-16-24)22-11-9-21(10-12-22)20-7-5-19(18-25)6-8-20;2*1-2-3-4-15-24-20-11-9-19(10-12-20)22-14-13-21(25-22)18-7-5-17(16-23)6-8-18;1-2-3-4-13-24-19-11-9-18(10-12-19)21-22-14-20(25-21)17-7-5-16(15-23)6-8-17;1-2-3-4-13-24-19-11-9-18(10-12-19)21-14-20(22-25-21)17-7-5-16(15-23)6-8-17;1-3-4-5-6-7-8-17-22-21-15-13-20(14-16-21)19-11-9-18(2)10-12-19;1-2-3-4-13-24-18-11-9-17(10-12-18)20-22-21-19(25-20)16-7-5-15(14-23)6-8-16;1-2-3-4-5-6-7-13-18-17-12-11-15-9-8-10-16(15)14-17/h5-16,18H,2-4,17H2,1H3;2*5-14,16H,2-4,15H2,1H3;2*5-12,14-15H,2-4,13H2,1H3;9-16H,3-8,17H2,1-2H3;5-12,14H,2-4,13H2,1H3;11-12,14H,2-10,13H2,1H3
InChIKeyIHEXEAKXSJIUHE-UHFFFAOYSA-N
XLogP46.21
TPSA267.24 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds65
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002595.46
LogP ≤ 546.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde with MolForge

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Related Compounds

3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
3-(4-bromophenyl)-5-(4-decoxyphenyl)-1,2-oxazole
CID 25227832
5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole
CID 58428297
4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine
CID 122376206
1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 159551415
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319
4-icosoxybenzaldehyde
CID 23127488
5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
CID 11779218
4-[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]benzonitrile
CID 71367381
S-(5-methyl-1,3,4-thiadiazol-2-yl) 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzenecarbothioate
CID 71510011
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
phosphoroso 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate
CID 121382191

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?
The IUPAC name of 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde (CID 158698161) is 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde.
What is the SMILES notation for 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?
The canonical SMILES for 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde is CCCCCCCCOc1ccc(-c2ccc(C)cc2)cc1.CCCCCCCCOc1ccc2c(c1)CCC2.CCCCCOc1ccc(-c2cc(-c3ccc(C=O)cc3)no2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)s2)cc1.CCCCCOc1ccc(-c2ncc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1.
What is the InChIKey of 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?
The InChIKey is IHEXEAKXSJIUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2.C22H22O3.C22H22O2S.2C21H21NO3.C21H28O.C20H20N2O2S.C17H26O/c1-2-3-4-17-26-24-15-13-23(14-16-24)22-11-9-21(10-12-22)20-7-5-19(18-25)6-8-20;2*1-2-3-4-15-24-20-11-9-19(10-12-20)22-14-13-21(25-22)18-7-5-17(16-23)6-8-18;1-2-3-4-13-24-19-11-9-18(10-12-19)21-22-14-20(25-21)17-7-5-16(15-23)6-8-17;1-2-3-4-13-24-19-11-9-18(10-12-19)21-14-20(22-25-21)17-7-5-16(15-23)6-8-17;1-3-4-5-6-7-8-17-22-21-15-13-20(14-16-21)19-11-9-18(2)10-12-19;1-2-3-4-13-24-18-11-9-17(10-12-18)20-22-21-19(25-20)16-7-5-15(14-23)6-8-16;1-2-3-4-5-6-7-13-18-17-12-11-15-9-8-10-16(15)14-17/h5-16,18H,2-4,17H2,1H3;2*5-14,16H,2-4,15H2,1H3;2*5-12,14-15H,2-4,13H2,1H3;9-16H,3-8,17H2,1-2H3;5-12,14H,2-4,13H2,1H3;11-12,14H,2-10,13H2,1H3.
What are the key properties of 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?
1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde has a molecular weight of 2595.46 g/mol, XLogP of 46.21, 65 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde is sourced from PubChem (CID 158698161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).