ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate

C14H18O3 — CID 94425197

IUPACethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
SMILESCCOC(=O)C[C@@]1(O)CCc2ccccc2C1
InChIInChI=1S/C14H18O3/c1-2-17-13(15)10-14(16)8-7-11-5-3-4-6-12(11)9-14/h3-6,16H,2,7-10H2,1H3/t14-/m1/s1
InChIKeyUXBMGCUIXOQESP-CQSZACIVSA-N
MW234.29 g/mol
LogP1.86
Rot. Bonds3

About ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate

ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate (PubChem CID 94425197) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
PubChem CID94425197
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
SMILESCCOC(=O)C[C@@]1(O)CCc2ccccc2C1
InChIInChI=1S/C14H18O3/c1-2-17-13(15)10-14(16)8-7-11-5-3-4-6-12(11)9-14/h3-6,16H,2,7-10H2,1H3/t14-/m1/s1
InChIKeyUXBMGCUIXOQESP-CQSZACIVSA-N
XLogP1.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 65236228
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
2-(ethylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62775085
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
2-heptyl-3,4-dihydro-1H-naphthalen-2-ol
CID 65147056
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
ethyl 2-[1-(ethylamino)-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234108
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-(2-amino-6-bromo-3,4-dihydro-1H-naphthalen-2-yl)acetate
CID 79849161
ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate
CID 62393323

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate (CID 94425197) is ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate is CCOC(=O)C[C@@]1(O)CCc2ccccc2C1.
What is the InChIKey of ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The InChIKey is UXBMGCUIXOQESP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-17-13(15)10-14(16)8-7-11-5-3-4-6-12(11)9-14/h3-6,16H,2,7-10H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate has a molecular weight of 234.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate is sourced from PubChem (CID 94425197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).