(1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C15H22O — CID 115417895

IUPAC(1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC[C@@H](O)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C15H22O/c1-10-5-8-14(16)13-9-11(15(2,3)4)6-7-12(10)13/h6-7,9-10,14,16H,5,8H2,1-4H3/t10?,14-/m1/s1
InChIKeyJSZBPVASMZETML-LNUXAPHWSA-N
MW218.34 g/mol
LogP3.91
Rot. Bonds

About (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417895) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417895
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC[C@@H](O)c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C15H22O/c1-10-5-8-14(16)13-9-11(15(2,3)4)6-7-12(10)13/h6-7,9-10,14,16H,5,8H2,1-4H3/t10?,14-/m1/s1
InChIKeyJSZBPVASMZETML-LNUXAPHWSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417895) is (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CC[C@@H](O)c2cc(C(C)(C)C)ccc21.
What is the InChIKey of (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is JSZBPVASMZETML-LNUXAPHWSA-N. The full InChI is InChI=1S/C15H22O/c1-10-5-8-14(16)13-9-11(15(2,3)4)6-7-12(10)13/h6-7,9-10,14,16H,5,8H2,1-4H3/t10?,14-/m1/s1.
What are the key properties of (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-tert-butyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).