2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C24H35ClO — CID 139867402

IUPAC2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCOC1CCC(C2CCC3CC(c4ccc(Cl)cc4)CCC3C2)CC1
InChIInChI=1S/C24H35ClO/c1-2-26-24-13-9-18(10-14-24)20-4-6-21-15-19(3-5-22(21)16-20)17-7-11-23(25)12-8-17/h7-8,11-12,18-22,24H,2-6,9-10,13-16H2,1H3
InChIKeyYHYQJBCYXUIGFO-UHFFFAOYSA-N
MW375.00 g/mol
LogP7.24
Rot. Bonds4

About 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139867402) has the molecular formula C24H35ClO and a molecular weight of 375.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID139867402
Molecular FormulaC24H35ClO
Molecular Weight375.00 g/mol
Exact Mass374.24
IUPAC Name2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCOC1CCC(C2CCC3CC(c4ccc(Cl)cc4)CCC3C2)CC1
InChIInChI=1S/C24H35ClO/c1-2-26-24-13-9-18(10-14-24)20-4-6-21-15-19(3-5-22(21)16-20)17-7-11-23(25)12-8-17/h7-8,11-12,18-22,24H,2-6,9-10,13-16H2,1H3
InChIKeyYHYQJBCYXUIGFO-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.00
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139867402) is 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCOC1CCC(C2CCC3CC(c4ccc(Cl)cc4)CCC3C2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is YHYQJBCYXUIGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClO/c1-2-26-24-13-9-18(10-14-24)20-4-6-21-15-19(3-5-22(21)16-20)17-7-11-23(25)12-8-17/h7-8,11-12,18-22,24H,2-6,9-10,13-16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 375.00 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139867402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).