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

C18H25ClO — CID 139865722

IUPAC2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCOC1CCC2CC(c3ccc(Cl)cc3)CCC2C1
InChIInChI=1S/C18H25ClO/c1-2-20-18-10-7-15-11-14(3-4-16(15)12-18)13-5-8-17(19)9-6-13/h5-6,8-9,14-16,18H,2-4,7,10-12H2,1H3
InChIKeyZYJHYTVXLPIQAI-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.43
Rot. Bonds3

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

2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139865722) has the molecular formula C18H25ClO and a molecular weight of 292.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID139865722
Molecular FormulaC18H25ClO
Molecular Weight292.85 g/mol
Exact Mass292.16
IUPAC Name2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCOC1CCC2CC(c3ccc(Cl)cc3)CCC2C1
InChIInChI=1S/C18H25ClO/c1-2-20-18-10-7-15-11-14(3-4-16(15)12-18)13-5-8-17(19)9-6-13/h5-6,8-9,14-16,18H,2-4,7,10-12H2,1H3
InChIKeyZYJHYTVXLPIQAI-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.43
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-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139865722) is 2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCOC1CCC2CC(c3ccc(Cl)cc3)CCC2C1.
What is the InChIKey of 2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is ZYJHYTVXLPIQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO/c1-2-20-18-10-7-15-11-14(3-4-16(15)12-18)13-5-8-17(19)9-6-13/h5-6,8-9,14-16,18H,2-4,7,10-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 292.85 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139865722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).