(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate

C20H28O3 — CID 72942327

IUPAC(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate
SMILESCCCC1CCC2CC(OC(=O)c3ccc(O)cc3)CCC2C1
InChIInChI=1S/C20H28O3/c1-2-3-14-4-5-17-13-19(11-8-16(17)12-14)23-20(22)15-6-9-18(21)10-7-15/h6-7,9-10,14,16-17,19,21H,2-5,8,11-13H2,1H3
InChIKeyGKULRGZHIBTKMW-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.93
Rot. Bonds4

About (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate

(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate (PubChem CID 72942327) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate.

Molecular Properties

Compound Name(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate
PubChem CID72942327
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate
SMILESCCCC1CCC2CC(OC(=O)c3ccc(O)cc3)CCC2C1
InChIInChI=1S/C20H28O3/c1-2-3-14-4-5-17-13-19(11-8-16(17)12-14)23-20(22)15-6-9-18(21)10-7-15/h6-7,9-10,14,16-17,19,21H,2-5,8,11-13H2,1H3
InChIKeyGKULRGZHIBTKMW-UHFFFAOYSA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4aR,6R,8aS)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 4-cyanobenzoate
CID 86317887
(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-(trifluoromethyl)benzoate
CID 45358851
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 4-hydroxybenzoate
CID 122423295
[(2R,4aR,6R,8aS)-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 4-cyanobenzoate
CID 86317883
cyclopropyl 4-hydroxybenzoate
CID 175929910
(4-propylcyclohexyl) 4-(4-butylcyclohexyl)benzoate
CID 3085888
[4-(4-pentylcyclohexyl)cyclohexyl] 4-pentoxybenzoate
CID 58019637
[4-[difluoro(trifluoromethoxy)methyl]cyclohexyl] 4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 90180118
bis(4-aminocyclohexyl) benzene-1,4-dicarboxylate;propane
CID 70377044
bis[4-(4-propylcyclohexyl)cyclohexyl] carbonate
CID 70479427
[3-(4-propylcyclohexyl)cyclohexyl] propanoate
CID 23041175
3-propylbicyclo[4.2.0]octane
CID 145186098

Frequently Asked Questions

What is the IUPAC name of (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate?
The IUPAC name of (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate (CID 72942327) is (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate.
What is the SMILES notation for (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate?
The canonical SMILES for (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate is CCCC1CCC2CC(OC(=O)c3ccc(O)cc3)CCC2C1.
What is the InChIKey of (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate?
The InChIKey is GKULRGZHIBTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3/c1-2-3-14-4-5-17-13-19(11-8-16(17)12-14)23-20(22)15-6-9-18(21)10-7-15/h6-7,9-10,14,16-17,19,21H,2-5,8,11-13H2,1H3.
What are the key properties of (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate?
(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate has a molecular weight of 316.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl) 4-hydroxybenzoate is sourced from PubChem (CID 72942327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).