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

C27H36O — CID 139852543

IUPAC2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCOc1ccc(-c2ccc3c(c2)CCC(C2CCC(CC)CC2)C3)cc1
InChIInChI=1S/C27H36O/c1-3-17-28-27-15-13-22(14-16-27)24-10-12-25-18-23(9-11-26(25)19-24)21-7-5-20(4-2)6-8-21/h10,12-16,19-21,23H,3-9,11,17-18H2,1-2H3
InChIKeyPQDOPWDAQFRVFN-UHFFFAOYSA-N
MW376.58 g/mol
LogP7.46
Rot. Bonds6

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

2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852543) has the molecular formula C27H36O and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139852543
Molecular FormulaC27H36O
Molecular Weight376.58 g/mol
Exact Mass376.28
IUPAC Name2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCOc1ccc(-c2ccc3c(c2)CCC(C2CCC(CC)CC2)C3)cc1
InChIInChI=1S/C27H36O/c1-3-17-28-27-15-13-22(14-16-27)24-10-12-25-18-23(9-11-26(25)19-24)21-7-5-20(4-2)6-8-21/h10,12-16,19-21,23H,3-9,11,17-18H2,1-2H3
InChIKeyPQDOPWDAQFRVFN-UHFFFAOYSA-N
XLogP7.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853135
2-(4-ethylcyclohexyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848969
2-ethyl-6-(4-heptoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500196
6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852535
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848082
2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404
6-(4-propoxyphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853601
2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852148
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-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
CID 20500248
2-[(6R,8aR)-6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-hexoxy-1,2,3,4-tetrahydronaphthalene
CID 20808572

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139852543) is 2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene is CCCOc1ccc(-c2ccc3c(c2)CCC(C2CCC(CC)CC2)C3)cc1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PQDOPWDAQFRVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O/c1-3-17-28-27-15-13-22(14-16-27)24-10-12-25-18-23(9-11-26(25)19-24)21-7-5-20(4-2)6-8-21/h10,12-16,19-21,23H,3-9,11,17-18H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 376.58 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).