ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

C19H24O3 — CID 141324526

IUPACethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)[C@@H](OC(C)(C)C)c1cc2ccccc2cc1C
InChIInChI=1S/C19H24O3/c1-6-21-18(20)17(22-19(3,4)5)16-12-15-10-8-7-9-14(15)11-13(16)2/h7-12,17H,6H2,1-5H3/t17-/m0/s1
InChIKeyHPAOFSVYRDWCKY-KRWDZBQOSA-N
MW300.40 g/mol
LogP4.57
Rot. Bonds4

About ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 141324526) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID141324526
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Nameethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)[C@@H](OC(C)(C)C)c1cc2ccccc2cc1C
InChIInChI=1S/C19H24O3/c1-6-21-18(20)17(22-19(3,4)5)16-12-15-10-8-7-9-14(15)11-13(16)2/h7-12,17H,6H2,1-5H3/t17-/m0/s1
InChIKeyHPAOFSVYRDWCKY-KRWDZBQOSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70912009
ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate
CID 70813717
ethyl 2-[1-(cyclohexen-1-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123410601
ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123322741
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
ethyl 2-[1-(8-azatetracyclo[7.3.1.02,4.05,13]trideca-1(13),2,5,7,9,11-hexaen-10-yl)-3-methylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123736297
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
anthracene;ethane;ethyl 2,2,3-trimethylbutanoate
CID 164954844
ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate
CID 67126334
anthracene;ethyl carbamate
CID 174381530
ethyl 2-anthracen-9-yl-2-methoxyacetate
CID 10424514
ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol
CID 161201935

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (CID 141324526) is ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is CCOC(=O)[C@@H](OC(C)(C)C)c1cc2ccccc2cc1C.
What is the InChIKey of ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is HPAOFSVYRDWCKY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24O3/c1-6-21-18(20)17(22-19(3,4)5)16-12-15-10-8-7-9-14(15)11-13(16)2/h7-12,17H,6H2,1-5H3/t17-/m0/s1.
What are the key properties of ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 300.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 141324526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).