methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate

C13H14O3 — CID 10751295

IUPACmethyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)C1=CCc2cccc(OC)c2C1
InChIInChI=1S/C13H14O3/c1-15-12-5-3-4-9-6-7-10(8-11(9)12)13(14)16-2/h3-5,7H,6,8H2,1-2H3
InChIKeyKBAYHSKFHSOSHS-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.89
Rot. Bonds2

About methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate

methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate (PubChem CID 10751295) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate
PubChem CID10751295
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namemethyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)C1=CCc2cccc(OC)c2C1
InChIInChI=1S/C13H14O3/c1-15-12-5-3-4-9-6-7-10(8-11(9)12)13(14)16-2/h3-5,7H,6,8H2,1-2H3
InChIKeyKBAYHSKFHSOSHS-UHFFFAOYSA-N
XLogP1.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 23567165
methyl 6-methoxy-1-methyl-4a,5,10,10a-tetrahydro-2H-benzo[g]quinoline-3-carboxylate
CID 18789283
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021
methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 102446417
2-methoxybicyclo[4.1.0]hepta-1(6),2,4-triene;1-methoxypropane
CID 126566779
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
butanoyl butanoate;8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158993814
methyl 2-hydroxy-2-(7-methoxy-3H-inden-1-yl)acetate
CID 23559702
12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 141002477
methyl 4-methyl-1H-indene-2-carboxylate
CID 154531762
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713

Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate (CID 10751295) is methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate is COC(=O)C1=CCc2cccc(OC)c2C1.
What is the InChIKey of methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate?
The InChIKey is KBAYHSKFHSOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-15-12-5-3-4-9-6-7-10(8-11(9)12)13(14)16-2/h3-5,7H,6,8H2,1-2H3.
What are the key properties of methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate?
methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate has a molecular weight of 218.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 10751295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).