ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate

C15H20O4 — CID 125113228

IUPACethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
SMILESCCOC(=O)C[C@@]1(O)CCc2c(cccc2OC)C1
InChIInChI=1S/C15H20O4/c1-3-19-14(16)10-15(17)8-7-12-11(9-15)5-4-6-13(12)18-2/h4-6,17H,3,7-10H2,1-2H3/t15-/m1/s1
InChIKeyKIEKEAOWUCUENW-OAHLLOKOSA-N
MW264.32 g/mol
LogP1.87
Rot. Bonds4

About ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate

ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate (PubChem CID 125113228) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
PubChem CID125113228
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
SMILESCCOC(=O)C[C@@]1(O)CCc2c(cccc2OC)C1
InChIInChI=1S/C15H20O4/c1-3-19-14(16)10-15(17)8-7-12-11(9-15)5-4-6-13(12)18-2/h4-6,17H,3,7-10H2,1-2H3/t15-/m1/s1
InChIKeyKIEKEAOWUCUENW-OAHLLOKOSA-N
XLogP1.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
5-methoxy-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 21350616
(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148
methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58467113
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 82159660
2-(2-hydroxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 105475613
ethyl 2-hydroxy-7-methoxy-3-oxo-1H-indene-2-carboxylate
CID 158400302
ethyl 2-amino-4,7-dimethoxy-1,3-dihydroindene-2-carboxylate
CID 91306842
ethyl 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 65236228
ethyl 2-[(1S)-1-amino-4-chloro-2,3-dihydroinden-1-yl]acetate
CID 170356428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate (CID 125113228) is ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate is CCOC(=O)C[C@@]1(O)CCc2c(cccc2OC)C1.
What is the InChIKey of ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
The InChIKey is KIEKEAOWUCUENW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-19-14(16)10-15(17)8-7-12-11(9-15)5-4-6-13(12)18-2/h4-6,17H,3,7-10H2,1-2H3/t15-/m1/s1.
What are the key properties of ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate?
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate is sourced from PubChem (CID 125113228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).