methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate

C16H22O4 — CID 70363837

IUPACmethyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCOC(=O)CCC1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C16H22O4/c1-18-14-9-12-6-4-11(5-7-16(17)20-3)8-13(12)10-15(14)19-2/h9-11H,4-8H2,1-3H3
InChIKeyGXYYZYMZIFDBEY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.76
Rot. Bonds5

About methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate

methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (PubChem CID 70363837) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
PubChem CID70363837
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Namemethyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCOC(=O)CCC1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C16H22O4/c1-18-14-9-12-6-4-11(5-7-16(17)20-3)8-13(12)10-15(14)19-2/h9-11H,4-8H2,1-3H3
InChIKeyGXYYZYMZIFDBEY-UHFFFAOYSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(6-amino-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 146904736
methyl 3-[(2S)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 159363969
(7R)-7-butyl-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 143278538
(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101368184
3-methoxy-6-(5-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10286122
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997
6-(4,5-dimethylhexyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 59125895
4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide
CID 20646936
3-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 102420215
3-methoxy-6-(4-methylhexyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 59125893
4-[(2-amino-6-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
CID 166125815
5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18545807

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The IUPAC name of methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (CID 70363837) is methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is COC(=O)CCC1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The InChIKey is GXYYZYMZIFDBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-18-14-9-12-6-4-11(5-7-16(17)20-3)8-13(12)10-15(14)19-2/h9-11H,4-8H2,1-3H3.
What are the key properties of methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate has a molecular weight of 278.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is sourced from PubChem (CID 70363837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).