1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene

C26H32OS — CID 123557022

IUPAC1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene
SMILESC1=CC2=C(CC1)C(SC1=CC=C3C=CCCC3C1)CC=C2OC1CCCCC1
InChIInChI=1S/C26H32OS/c1-2-10-21(11-3-1)27-25-16-17-26(24-13-7-6-12-23(24)25)28-22-15-14-19-8-4-5-9-20(19)18-22/h4,6,8,12,14-16,20-21,26H,1-3,5,7,9-11,13,17-18H2
InChIKeyRZJLSNMAZYKANH-UHFFFAOYSA-N
MW392.61 g/mol
LogP7.55
Rot. Bonds4

About 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene

1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene (PubChem CID 123557022) has the molecular formula C26H32OS and a molecular weight of 392.61 g/mol. Its IUPAC name is 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene.

Molecular Properties

Compound Name1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene
PubChem CID123557022
Molecular FormulaC26H32OS
Molecular Weight392.61 g/mol
Exact Mass392.22
IUPAC Name1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene
SMILESC1=CC2=C(CC1)C(SC1=CC=C3C=CCCC3C1)CC=C2OC1CCCCC1
InChIInChI=1S/C26H32OS/c1-2-10-21(11-3-1)27-25-16-17-26(24-13-7-6-12-23(24)25)28-22-15-14-19-8-4-5-9-20(19)18-22/h4,6,8,12,14-16,20-21,26H,1-3,5,7,9-11,13,17-18H2
InChIKeyRZJLSNMAZYKANH-UHFFFAOYSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.61
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene?
The IUPAC name of 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene (CID 123557022) is 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene.
What is the SMILES notation for 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene?
The canonical SMILES for 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene is C1=CC2=C(CC1)C(SC1=CC=C3C=CCCC3C1)CC=C2OC1CCCCC1.
What is the InChIKey of 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene?
The InChIKey is RZJLSNMAZYKANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32OS/c1-2-10-21(11-3-1)27-25-16-17-26(24-13-7-6-12-23(24)25)28-22-15-14-19-8-4-5-9-20(19)18-22/h4,6,8,12,14-16,20-21,26H,1-3,5,7,9-11,13,17-18H2.
What are the key properties of 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene?
1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene has a molecular weight of 392.61 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,7,8,8a-tetrahydronaphthalen-2-ylsulfanyl)-4-cyclohexyloxy-1,2,7,8-tetrahydronaphthalene is sourced from PubChem (CID 123557022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).