ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate

C17H24O4 — CID 62394893

IUPACethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate
SMILESCCOC(=O)C(CC)C1(O)CCCc2cc(OC)ccc21
InChIInChI=1S/C17H24O4/c1-4-14(16(18)21-5-2)17(19)10-6-7-12-11-13(20-3)8-9-15(12)17/h8-9,11,14,19H,4-7,10H2,1-3H3
InChIKeyROOQZSJQCNOFER-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.81
Rot. Bonds5

About ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate

ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate (PubChem CID 62394893) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate
PubChem CID62394893
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate
SMILESCCOC(=O)C(CC)C1(O)CCCc2cc(OC)ccc21
InChIInChI=1S/C17H24O4/c1-4-14(16(18)21-5-2)17(19)10-6-7-12-11-13(20-3)8-9-15(12)17/h8-9,11,14,19H,4-7,10H2,1-3H3
InChIKeyROOQZSJQCNOFER-UHFFFAOYSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
CID 70809295
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
6-methoxy-1-(propylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 60796789
ethyl 2'-ethyl-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylate
CID 79303995
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
2-ethoxy-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631099
2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976
5-ethyl-2-methoxy-6-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 68730786
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,2-dimethylpropanamide
CID 100730792
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,2-dimethylpropanamide
CID 91631098
2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol
CID 103376928

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate?
The IUPAC name of ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate (CID 62394893) is ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate?
The canonical SMILES for ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate is CCOC(=O)C(CC)C1(O)CCCc2cc(OC)ccc21.
What is the InChIKey of ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate?
The InChIKey is ROOQZSJQCNOFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-14(16(18)21-5-2)17(19)10-6-7-12-11-13(20-3)8-9-15(12)17/h8-9,11,14,19H,4-7,10H2,1-3H3.
What are the key properties of ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate?
ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate has a molecular weight of 292.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate is sourced from PubChem (CID 62394893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).