8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C16H22 — CID 611743

IUPAC8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESc1ccc(C23CCCCC2CCCC3)cc1
InChIInChI=1S/C16H22/c1-2-8-14(9-3-1)16-12-6-4-10-15(16)11-5-7-13-16/h1-3,8-9,15H,4-7,10-13H2
InChIKeyZHMLKBNVMRHEEY-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.69
Rot. Bonds1

About 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 611743) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID611743
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESc1ccc(C23CCCCC2CCCC3)cc1
InChIInChI=1S/C16H22/c1-2-8-14(9-3-1)16-12-6-4-10-15(16)11-5-7-13-16/h1-3,8-9,15H,4-7,10-13H2
InChIKeyZHMLKBNVMRHEEY-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenylbicyclo[4.1.0]heptane
CID 582374
4-(1-phenylcyclopentyl)piperidine
CID 83911457
(4aS,8aS)-2-methyl-4a-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22824819
1-(1-cyclohexylcyclohexyl)-4-methylbenzene
CID 19365404
(4aR,7aR)-2-methyl-4a-phenyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 12884448
4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71741959
(4aS,8aR)-4a-phenyl-2-prop-2-ynyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22807523
4a-phenyl-2-prop-2-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 21323266
4a-phenyl-2-prop-2-ynyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 21323276
3-(1-phenylcyclopropyl)piperidine;hydrochloride
CID 162342001
1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid
CID 19365403
2-benzyl-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine
CID 21330535

Frequently Asked Questions

What is the IUPAC name of 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 611743) is 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is c1ccc(C23CCCCC2CCCC3)cc1.
What is the InChIKey of 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is ZHMLKBNVMRHEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-2-8-14(9-3-1)16-12-6-4-10-15(16)11-5-7-13-16/h1-3,8-9,15H,4-7,10-13H2.
What are the key properties of 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 214.35 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 611743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).