tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

C19H28O4 — CID 145043069

IUPACtert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCC(C)Oc1ccc2c(c1)C(O)CC(CC(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H28O4/c1-12(2)22-15-7-6-14-8-13(9-17(20)16(14)11-15)10-18(21)23-19(3,4)5/h6-7,11-13,17,20H,8-10H2,1-5H3
InChIKeyQLPZJVVALFXIRE-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate

tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (PubChem CID 145043069) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
PubChem CID145043069
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Nametert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
SMILESCC(C)Oc1ccc2c(c1)C(O)CC(CC(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H28O4/c1-12(2)22-15-7-6-14-8-13(9-17(20)16(14)11-15)10-18(21)23-19(3,4)5/h6-7,11-13,17,20H,8-10H2,1-5H3
InChIKeyQLPZJVVALFXIRE-UHFFFAOYSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate (CID 145043069) is tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is CC(C)Oc1ccc2c(c1)C(O)CC(CC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is QLPZJVVALFXIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-12(2)22-15-7-6-14-8-13(9-17(20)16(14)11-15)10-18(21)23-19(3,4)5/h6-7,11-13,17,20H,8-10H2,1-5H3.
What are the key properties of tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate?
tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 320.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-hydroxy-6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 145043069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).