methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate

C13H14O4 — CID 146174124

IUPACmethyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
SMILESCOC(=O)C1CCC(=O)c2cc(OC)ccc21
InChIInChI=1S/C13H14O4/c1-16-8-3-4-9-10(13(15)17-2)5-6-12(14)11(9)7-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyFPBFJZMKPKXUQK-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.93
Rot. Bonds2

About methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate

methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate (PubChem CID 146174124) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
PubChem CID146174124
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Namemethyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
SMILESCOC(=O)C1CCC(=O)c2cc(OC)ccc21
InChIInChI=1S/C13H14O4/c1-16-8-3-4-9-10(13(15)17-2)5-6-12(14)11(9)7-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyFPBFJZMKPKXUQK-UHFFFAOYSA-N
XLogP1.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82158652
methyl 3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate
CID 22989937
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
methyl 5-methoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 16639026
methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
CID 83985276
4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11413082
3-bromo-6-methoxy-2,3-dihydroinden-1-one
CID 23250652
methyl 2-oxotricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene-9-carboxylate
CID 102398113
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
methyl (2R,3R)-7-methoxy-2-(4-methoxyphenyl)-5-oxo-1,2,3,4-tetrahydro-1-benzazepine-3-carboxylate
CID 71739247
3-(7-methoxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)-2,2-dimethylpropanoic acid
CID 69457658

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate?
The IUPAC name of methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate (CID 146174124) is methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate.
What is the SMILES notation for methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate?
The canonical SMILES for methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate is COC(=O)C1CCC(=O)c2cc(OC)ccc21.
What is the InChIKey of methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate?
The InChIKey is FPBFJZMKPKXUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-8-3-4-9-10(13(15)17-2)5-6-12(14)11(9)7-8/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate?
methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate is sourced from PubChem (CID 146174124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).