ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate

C16H22O4 — CID 70809295

IUPACethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)C1(O)CCCc2ccc(OC)cc21
InChIInChI=1S/C16H22O4/c1-4-20-15(17)11(2)16(18)9-5-6-12-7-8-13(19-3)10-14(12)16/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyCGGDSZMCTHKZHM-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.42
Rot. Bonds4

About ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate

ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate (PubChem CID 70809295) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
PubChem CID70809295
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Nameethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
SMILESCCOC(=O)C(C)C1(O)CCCc2ccc(OC)cc21
InChIInChI=1S/C16H22O4/c1-4-20-15(17)11(2)16(18)9-5-6-12-7-8-13(19-3)10-14(12)16/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyCGGDSZMCTHKZHM-UHFFFAOYSA-N
XLogP2.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate
CID 62394893
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
ethyl 2-(5-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
CID 70809294
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
1-ethyl-6-methoxy-2,3-dihydroindene-1-carboxamide
CID 176955312
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
ethyl 2'-ethyl-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylate
CID 79303995

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate?
The IUPAC name of ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate (CID 70809295) is ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate?
The canonical SMILES for ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate is CCOC(=O)C(C)C1(O)CCCc2ccc(OC)cc21.
What is the InChIKey of ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate?
The InChIKey is CGGDSZMCTHKZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-4-20-15(17)11(2)16(18)9-5-6-12-7-8-13(19-3)10-14(12)16/h7-8,10-11,18H,4-6,9H2,1-3H3.
What are the key properties of ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate?
ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate has a molecular weight of 278.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate is sourced from PubChem (CID 70809295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).