6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

C26H34O — CID 139853135

IUPAC6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCOc1ccc(-c2ccc3c(c2)CCC(C2CCC(CC)CC2)C3)cc1
InChIInChI=1S/C26H34O/c1-3-19-5-7-20(8-6-19)22-9-11-25-18-23(10-12-24(25)17-22)21-13-15-26(16-14-21)27-4-2/h10,12-16,18-20,22H,3-9,11,17H2,1-2H3
InChIKeyRNJOKFLDABWGNW-UHFFFAOYSA-N
MW362.56 g/mol
LogP7.07
Rot. Bonds5

About 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853135) has the molecular formula C26H34O and a molecular weight of 362.56 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139853135
Molecular FormulaC26H34O
Molecular Weight362.56 g/mol
Exact Mass362.26
IUPAC Name6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCOc1ccc(-c2ccc3c(c2)CCC(C2CCC(CC)CC2)C3)cc1
InChIInChI=1S/C26H34O/c1-3-19-5-7-20(8-6-19)22-9-11-25-18-23(10-12-24(25)17-22)21-13-15-26(16-14-21)27-4-2/h10,12-16,18-20,22H,3-9,11,17H2,1-2H3
InChIKeyRNJOKFLDABWGNW-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852543
6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852535
2-(4-ethylcyclohexyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848969
6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
CID 20500248
2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853661
2-ethyl-6-(4-heptoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500196
2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 139866093
6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 22383388
2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852148
6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848082
2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene
CID 22385331
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852551

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (CID 139853135) is 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is CCOc1ccc(-c2ccc3c(c2)CCC(C2CCC(CC)CC2)C3)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RNJOKFLDABWGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O/c1-3-19-5-7-20(8-6-19)22-9-11-25-18-23(10-12-24(25)17-22)21-13-15-26(16-14-21)27-4-2/h10,12-16,18-20,22H,3-9,11,17H2,1-2H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 362.56 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).