2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate

C17H20O3 — CID 126487548

IUPAC2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCc1cccc2c(O)cccc12
InChIInChI=1S/C17H20O3/c1-17(2,3)16(19)20-11-10-12-6-4-8-14-13(12)7-5-9-15(14)18/h4-9,18H,10-11H2,1-3H3
InChIKeyFFBYSUFVPHNJSQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.68
Rot. Bonds3

About 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate

2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate (PubChem CID 126487548) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate
PubChem CID126487548
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCc1cccc2c(O)cccc12
InChIInChI=1S/C17H20O3/c1-17(2,3)16(19)20-11-10-12-6-4-8-14-13(12)7-5-9-15(14)18/h4-9,18H,10-11H2,1-3H3
InChIKeyFFBYSUFVPHNJSQ-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-hydroxynaphthalen-1-yl)ethyl 2-iodo-2-methylbutanoate
CID 134565439
2-naphthalen-1-ylethyl acetate
CID 592920
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024
1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate
CID 58021629
[3,3-dihydroxy-3-(2-hydroxyphenyl)propyl] 2,2-dimethylpropanoate
CID 175389257
CID 147612123
CID 147612123
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
(5-hydroxynaphthalen-1-yl)methyl 2-iodobutanoate
CID 126723558
bis[2-(2,3-dihydroxyphenyl)ethyl] butanedioate
CID 174992498
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
(4-hydroxynaphthalen-1-yl)methyl 2,3,3-trimethyl-2-methylsulfanylbutanoate
CID 135181570
(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate
CID 11276917

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate (CID 126487548) is 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCc1cccc2c(O)cccc12.
What is the InChIKey of 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate?
The InChIKey is FFBYSUFVPHNJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-17(2,3)16(19)20-11-10-12-6-4-8-14-13(12)7-5-9-15(14)18/h4-9,18H,10-11H2,1-3H3.
What are the key properties of 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate?
2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate has a molecular weight of 272.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxynaphthalen-1-yl)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 126487548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).