(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate

C16H18O3 — CID 11276917

IUPAC(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cc2ccccc2cc1O
InChIInChI=1S/C16H18O3/c1-16(2,3)15(18)19-10-13-8-11-6-4-5-7-12(11)9-14(13)17/h4-9,17H,10H2,1-3H3
InChIKeyGOCBZNXQWLLKMW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.63
Rot. Bonds2

About (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate

(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate (PubChem CID 11276917) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate
PubChem CID11276917
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cc2ccccc2cc1O
InChIInChI=1S/C16H18O3/c1-16(2,3)15(18)19-10-13-8-11-6-4-5-7-12(11)9-14(13)17/h4-9,17H,10H2,1-3H3
InChIKeyGOCBZNXQWLLKMW-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-formylphenyl)methyl 2,2-dimethylpropanoate
CID 10560870
[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 102335909
(2-phenylphenyl)methyl 2,2-dimethylpropanoate
CID 143507631
[2-(cyanomethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 165346081
[2-(2,3-dimethylbutyl)phenyl]methyl 2,2-dimethylpropanoate
CID 134232903
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
anthracen-9-ylmethyl 2-bromo-2-methylpropanoate
CID 71362067
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
anthracen-9-ylmethyl 2,2-difluoropropanoate
CID 58226293
(3-hydroxy-4-methoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10585997
dimethyl 4-(2,2-dimethylpropanoyloxymethyl)-2-hydroxybenzene-1,3-dicarboxylate
CID 10805898
methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate
CID 102205793

Frequently Asked Questions

What is the IUPAC name of (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate (CID 11276917) is (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1cc2ccccc2cc1O.
What is the InChIKey of (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is GOCBZNXQWLLKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-16(2,3)15(18)19-10-13-8-11-6-4-5-7-12(11)9-14(13)17/h4-9,17H,10H2,1-3H3.
What are the key properties of (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate?
(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 258.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11276917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).