1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene

C145H192O7 — CID 160891986

IUPAC1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene
SMILESCCCCCCOc1ccc(-c2ccc(CC)cc2)c(C)c1C.CCCCCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCc1ccc(-c2ccc(OC)c(C)c2C)cc1.CCCc1ccc(-c2ccc(OCC)c(C)c2C)cc1
InChIInChI=1S/C23H32O.2C22H30O.C21H28O.C20H26O.C19H24O.C18H22O/c1-5-7-8-9-17-24-23-16-15-22(18(3)19(23)4)21-13-11-20(10-6-2)12-14-21;1-5-7-8-9-16-23-22-15-14-21(17(3)18(22)4)20-12-10-19(6-2)11-13-20;1-5-7-8-16-23-22-15-14-21(17(3)18(22)4)20-12-10-19(9-6-2)11-13-20;1-5-7-15-22-21-14-13-20(16(3)17(21)4)19-11-9-18(8-6-2)10-12-19;1-5-7-17-8-10-18(11-9-17)19-12-13-20(21-14-6-2)16(4)15(19)3;1-5-7-16-8-10-17(11-9-16)18-12-13-19(20-6-2)15(4)14(18)3;1-5-6-15-7-9-16(10-8-15)17-11-12-18(19-4)14(3)13(17)2/h11-16H,5-10,17H2,1-4H3;2*10-15H,5-9,16H2,1-4H3;9-14H,5-8,15H2,1-4H3;8-13H,5-7,14H2,1-4H3;8-13H,5-7H2,1-4H3;7-12H,5-6H2,1-4H3
InChIKeySOJWIKGLEYZFPU-UHFFFAOYSA-N
MW2047.12 g/mol
LogP41.93
Rot. Bonds47

About 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene

1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene (PubChem CID 160891986) has the molecular formula C145H192O7 and a molecular weight of 2047.12 g/mol. Its IUPAC name is 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene
PubChem CID160891986
Molecular FormulaC145H192O7
Molecular Weight2047.12 g/mol
Exact Mass2045.47
IUPAC Name1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene
SMILESCCCCCCOc1ccc(-c2ccc(CC)cc2)c(C)c1C.CCCCCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCc1ccc(-c2ccc(OC)c(C)c2C)cc1.CCCc1ccc(-c2ccc(OCC)c(C)c2C)cc1
InChIInChI=1S/C23H32O.2C22H30O.C21H28O.C20H26O.C19H24O.C18H22O/c1-5-7-8-9-17-24-23-16-15-22(18(3)19(23)4)21-13-11-20(10-6-2)12-14-21;1-5-7-8-9-16-23-22-15-14-21(17(3)18(22)4)20-12-10-19(6-2)11-13-20;1-5-7-8-16-23-22-15-14-21(17(3)18(22)4)20-12-10-19(9-6-2)11-13-20;1-5-7-15-22-21-14-13-20(16(3)17(21)4)19-11-9-18(8-6-2)10-12-19;1-5-7-17-8-10-18(11-9-17)19-12-13-20(21-14-6-2)16(4)15(19)3;1-5-7-16-8-10-17(11-9-16)18-12-13-19(20-6-2)15(4)14(18)3;1-5-6-15-7-9-16(10-8-15)17-11-12-18(19-4)14(3)13(17)2/h11-16H,5-10,17H2,1-4H3;2*10-15H,5-9,16H2,1-4H3;9-14H,5-8,15H2,1-4H3;8-13H,5-7,14H2,1-4H3;8-13H,5-7H2,1-4H3;7-12H,5-6H2,1-4H3
InChIKeySOJWIKGLEYZFPU-UHFFFAOYSA-N
XLogP41.93
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds47
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002047.12
LogP ≤ 541.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene?
The IUPAC name of 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene (CID 160891986) is 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene is CCCCCCOc1ccc(-c2ccc(CC)cc2)c(C)c1C.CCCCCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCOc1ccc(-c2ccc(CCC)cc2)c(C)c1C.CCCc1ccc(-c2ccc(OC)c(C)c2C)cc1.CCCc1ccc(-c2ccc(OCC)c(C)c2C)cc1.
What is the InChIKey of 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene?
The InChIKey is SOJWIKGLEYZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O.2C22H30O.C21H28O.C20H26O.C19H24O.C18H22O/c1-5-7-8-9-17-24-23-16-15-22(18(3)19(23)4)21-13-11-20(10-6-2)12-14-21;1-5-7-8-9-16-23-22-15-14-21(17(3)18(22)4)20-12-10-19(6-2)11-13-20;1-5-7-8-16-23-22-15-14-21(17(3)18(22)4)20-12-10-19(9-6-2)11-13-20;1-5-7-15-22-21-14-13-20(16(3)17(21)4)19-11-9-18(8-6-2)10-12-19;1-5-7-17-8-10-18(11-9-17)19-12-13-20(21-14-6-2)16(4)15(19)3;1-5-7-16-8-10-17(11-9-16)18-12-13-19(20-6-2)15(4)14(18)3;1-5-6-15-7-9-16(10-8-15)17-11-12-18(19-4)14(3)13(17)2/h11-16H,5-10,17H2,1-4H3;2*10-15H,5-9,16H2,1-4H3;9-14H,5-8,15H2,1-4H3;8-13H,5-7,14H2,1-4H3;8-13H,5-7H2,1-4H3;7-12H,5-6H2,1-4H3.
What are the key properties of 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene?
1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene has a molecular weight of 2047.12 g/mol, XLogP of 41.93, 47 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-propylphenyl)benzene;2,3-dimethyl-1-propoxy-4-(4-propylphenyl)benzene;1-ethoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-(4-ethylphenyl)-4-hexoxy-2,3-dimethylbenzene;1-hexoxy-2,3-dimethyl-4-(4-propylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-propylphenyl)benzene is sourced from PubChem (CID 160891986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).