1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene

C135H186O6 — CID 161149951

IUPAC1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene
SMILESCCCCCCOc1ccc(-c2ccc(CCCCC)cc2)c(C)c1C.CCCCCOc1ccc(-c2ccc(CCCCC)cc2)c(C)c1C.CCCCCc1ccc(-c2ccc(OC)c(C)c2C)cc1.CCCCCc1ccc(-c2ccc(OCC)c(C)c2C)cc1.CCCCCc1ccc(-c2ccc(OCCC)c(C)c2C)cc1.CCCCCc1ccc(-c2ccc(OCCCC)c(C)c2C)cc1
InChIInChI=1S/C25H36O.C24H34O.C23H32O.C22H30O.C21H28O.C20H26O/c1-5-7-9-11-19-26-25-18-17-24(20(3)21(25)4)23-15-13-22(14-16-23)12-10-8-6-2;1-5-7-9-11-21-12-14-22(15-13-21)23-16-17-24(20(4)19(23)3)25-18-10-8-6-2;1-5-7-9-10-20-11-13-21(14-12-20)22-15-16-23(19(4)18(22)3)24-17-8-6-2;1-5-7-8-9-19-10-12-20(13-11-19)21-14-15-22(23-16-6-2)18(4)17(21)3;1-5-7-8-9-18-10-12-19(13-11-18)20-14-15-21(22-6-2)17(4)16(20)3;1-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21-4)16(3)15(19)2/h13-18H,5-12,19H2,1-4H3;12-17H,5-11,18H2,1-4H3;11-16H,5-10,17H2,1-4H3;10-15H,5-9,16H2,1-4H3;10-15H,5-9H2,1-4H3;9-14H,5-8H2,1-4H3
InChIKeyUONULDAYNCRBSF-UHFFFAOYSA-N
MW1904.97 g/mol
LogP40.12
Rot. Bonds51

About 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene

1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene (PubChem CID 161149951) has the molecular formula C135H186O6 and a molecular weight of 1904.97 g/mol. Its IUPAC name is 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene
PubChem CID161149951
Molecular FormulaC135H186O6
Molecular Weight1904.97 g/mol
Exact Mass1903.42
IUPAC Name1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene
SMILESCCCCCCOc1ccc(-c2ccc(CCCCC)cc2)c(C)c1C.CCCCCOc1ccc(-c2ccc(CCCCC)cc2)c(C)c1C.CCCCCc1ccc(-c2ccc(OC)c(C)c2C)cc1.CCCCCc1ccc(-c2ccc(OCC)c(C)c2C)cc1.CCCCCc1ccc(-c2ccc(OCCC)c(C)c2C)cc1.CCCCCc1ccc(-c2ccc(OCCCC)c(C)c2C)cc1
InChIInChI=1S/C25H36O.C24H34O.C23H32O.C22H30O.C21H28O.C20H26O/c1-5-7-9-11-19-26-25-18-17-24(20(3)21(25)4)23-15-13-22(14-16-23)12-10-8-6-2;1-5-7-9-11-21-12-14-22(15-13-21)23-16-17-24(20(4)19(23)3)25-18-10-8-6-2;1-5-7-9-10-20-11-13-21(14-12-20)22-15-16-23(19(4)18(22)3)24-17-8-6-2;1-5-7-8-9-19-10-12-20(13-11-19)21-14-15-22(23-16-6-2)18(4)17(21)3;1-5-7-8-9-18-10-12-19(13-11-18)20-14-15-21(22-6-2)17(4)16(20)3;1-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21-4)16(3)15(19)2/h13-18H,5-12,19H2,1-4H3;12-17H,5-11,18H2,1-4H3;11-16H,5-10,17H2,1-4H3;10-15H,5-9,16H2,1-4H3;10-15H,5-9H2,1-4H3;9-14H,5-8H2,1-4H3
InChIKeyUONULDAYNCRBSF-UHFFFAOYSA-N
XLogP40.12
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds51
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001904.97
LogP ≤ 540.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene (CID 161149951) is 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene is CCCCCCOc1ccc(-c2ccc(CCCCC)cc2)c(C)c1C.CCCCCOc1ccc(-c2ccc(CCCCC)cc2)c(C)c1C.CCCCCc1ccc(-c2ccc(OC)c(C)c2C)cc1.CCCCCc1ccc(-c2ccc(OCC)c(C)c2C)cc1.CCCCCc1ccc(-c2ccc(OCCC)c(C)c2C)cc1.CCCCCc1ccc(-c2ccc(OCCCC)c(C)c2C)cc1.
What is the InChIKey of 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene?
The InChIKey is UONULDAYNCRBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O.C24H34O.C23H32O.C22H30O.C21H28O.C20H26O/c1-5-7-9-11-19-26-25-18-17-24(20(3)21(25)4)23-15-13-22(14-16-23)12-10-8-6-2;1-5-7-9-11-21-12-14-22(15-13-21)23-16-17-24(20(4)19(23)3)25-18-10-8-6-2;1-5-7-9-10-20-11-13-21(14-12-20)22-15-16-23(19(4)18(22)3)24-17-8-6-2;1-5-7-8-9-19-10-12-20(13-11-19)21-14-15-22(23-16-6-2)18(4)17(21)3;1-5-7-8-9-18-10-12-19(13-11-18)20-14-15-21(22-6-2)17(4)16(20)3;1-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21-4)16(3)15(19)2/h13-18H,5-12,19H2,1-4H3;12-17H,5-11,18H2,1-4H3;11-16H,5-10,17H2,1-4H3;10-15H,5-9,16H2,1-4H3;10-15H,5-9H2,1-4H3;9-14H,5-8H2,1-4H3.
What are the key properties of 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene?
1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene has a molecular weight of 1904.97 g/mol, XLogP of 40.12, 51 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-pentoxy-4-(4-pentylphenyl)benzene;2,3-dimethyl-1-(4-pentylphenyl)-4-propoxybenzene;1-ethoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-hexoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene;1-methoxy-2,3-dimethyl-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 161149951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).