7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane

C34H46O2 — CID 143541198

IUPAC7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CCCCOc1ccc(C)cc1-c1ccc(COc2ccc3c(c2)C(CCCC)CCC3)cc1
InChIInChI=1S/C32H40O2.C2H6/c1-4-6-9-26-10-8-11-27-17-18-29(22-30(26)27)34-23-25-13-15-28(16-14-25)31-21-24(3)12-19-32(31)33-20-7-5-2;1-2/h12-19,21-22,26H,4-11,20,23H2,1-3H3;1-2H3
InChIKeyJGNKTYJBLKIXER-UHFFFAOYSA-N
MW486.74 g/mol
LogP10.06
Rot. Bonds11

About 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane

7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane (PubChem CID 143541198) has the molecular formula C34H46O2 and a molecular weight of 486.74 g/mol. Its IUPAC name is 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane.

Molecular Properties

Compound Name7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane
PubChem CID143541198
Molecular FormulaC34H46O2
Molecular Weight486.74 g/mol
Exact Mass486.35
IUPAC Name7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane
SMILESCC.CCCCOc1ccc(C)cc1-c1ccc(COc2ccc3c(c2)C(CCCC)CCC3)cc1
InChIInChI=1S/C32H40O2.C2H6/c1-4-6-9-26-10-8-11-27-17-18-29(22-30(26)27)34-23-25-13-15-28(16-14-25)31-21-24(3)12-19-32(31)33-20-7-5-2;1-2/h12-19,21-22,26H,4-11,20,23H2,1-3H3;1-2H3
InChIKeyJGNKTYJBLKIXER-UHFFFAOYSA-N
XLogP10.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane?
The IUPAC name of 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane (CID 143541198) is 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane.
What is the SMILES notation for 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane?
The canonical SMILES for 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane is CC.CCCCOc1ccc(C)cc1-c1ccc(COc2ccc3c(c2)C(CCCC)CCC3)cc1.
What is the InChIKey of 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane?
The InChIKey is JGNKTYJBLKIXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O2.C2H6/c1-4-6-9-26-10-8-11-27-17-18-29(22-30(26)27)34-23-25-13-15-28(16-14-25)31-21-24(3)12-19-32(31)33-20-7-5-2;1-2/h12-19,21-22,26H,4-11,20,23H2,1-3H3;1-2H3.
What are the key properties of 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane?
7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane has a molecular weight of 486.74 g/mol, XLogP of 10.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]-1-butyl-1,2,3,4-tetrahydronaphthalene;ethane is sourced from PubChem (CID 143541198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).