tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate

C16H18O3 — CID 102111211

IUPACtert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc2ccccc2c1O
InChIInChI=1S/C16H18O3/c1-16(2,3)19-14(17)10-12-9-8-11-6-4-5-7-13(11)15(12)18/h4-9,18H,10H2,1-3H3
InChIKeyZAUDESDHXKTMSY-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate

tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate (PubChem CID 102111211) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate
PubChem CID102111211
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Nametert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc2ccccc2c1O
InChIInChI=1S/C16H18O3/c1-16(2,3)19-14(17)10-12-9-8-11-6-4-5-7-13(11)15(12)18/h4-9,18H,10H2,1-3H3
InChIKeyZAUDESDHXKTMSY-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
CID 88715166
2-(1-hydroxynaphthalen-2-yl)acetamide;hydrochloride
CID 161067432
tert-butyl 3-[5-hydroxy-6-(2-methoxy-2-oxoethyl)naphthalen-1-yl]propanoate
CID 54553247
tert-butyl 5-naphthalen-1-yl-4-oxopentanoate
CID 159291703
tert-butyl 2-iodonaphthalene-1-carboxylate
CID 70878539
tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate
CID 136898949
tert-butyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 58522023
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
2-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(1-hydroxynaphthalen-2-yl)methyl]phenyl]propan-2-yl]-3-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
CID 129291813
tert-butyl phenanthrene-4-carboxylate
CID 86199772
methyl 4-[hydroxy-[(1-hydroxynaphthalen-2-yl)methyl]amino]-4-oxobutanoate
CID 19877527
tert-butyl 5-naphthalen-2-yl-4-oxopentanoate
CID 58498117

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate?
The IUPAC name of tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate (CID 102111211) is tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate is CC(C)(C)OC(=O)Cc1ccc2ccccc2c1O.
What is the InChIKey of tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate?
The InChIKey is ZAUDESDHXKTMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-16(2,3)19-14(17)10-12-9-8-11-6-4-5-7-13(11)15(12)18/h4-9,18H,10H2,1-3H3.
What are the key properties of tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate?
tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate has a molecular weight of 258.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-hydroxynaphthalen-2-yl)acetate is sourced from PubChem (CID 102111211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).