ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate

C16H22O3 — CID 101340155

IUPACethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
SMILESCCOC(=O)CC1(C)CCCc2cc(OC)ccc21
InChIInChI=1S/C16H22O3/c1-4-19-15(17)11-16(2)9-5-6-12-10-13(18-3)7-8-14(12)16/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyPSFYAKLIFCZQGX-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.24
Rot. Bonds4

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

ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate (PubChem CID 101340155) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
PubChem CID101340155
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
SMILESCCOC(=O)CC1(C)CCCc2cc(OC)ccc21
InChIInChI=1S/C16H22O3/c1-4-19-15(17)11-16(2)9-5-6-12-10-13(18-3)7-8-14(12)16/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyPSFYAKLIFCZQGX-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate
CID 62394893
2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
ethyl 2'-ethyl-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylate
CID 79303995
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 11139929
6-methoxy-1-(propylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 60796789
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
CID 70809295
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The IUPAC name of ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate (CID 101340155) is ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate is CCOC(=O)CC1(C)CCCc2cc(OC)ccc21.
What is the InChIKey of ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The InChIKey is PSFYAKLIFCZQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-19-15(17)11-16(2)9-5-6-12-10-13(18-3)7-8-14(12)16/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate has a molecular weight of 262.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate is sourced from PubChem (CID 101340155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).