methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate

C20H19FO2 — CID 58406959

IUPACmethyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccc(F)cc1C)=C(C)CC2
InChIInChI=1S/C20H19FO2/c1-12-4-5-14-6-7-15(20(22)23-3)11-18(14)19(12)17-9-8-16(21)10-13(17)2/h6-11H,4-5H2,1-3H3
InChIKeyHOUPZXKGFWHMKU-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.69
Rot. Bonds2

About methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate

methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58406959) has the molecular formula C20H19FO2 and a molecular weight of 310.37 g/mol. Its IUPAC name is methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58406959
Molecular FormulaC20H19FO2
Molecular Weight310.37 g/mol
Exact Mass310.14
IUPAC Namemethyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccc(F)cc1C)=C(C)CC2
InChIInChI=1S/C20H19FO2/c1-12-4-5-14-6-7-15(20(22)23-3)11-18(14)19(12)17-9-8-16(21)10-13(17)2/h6-11H,4-5H2,1-3H3
InChIKeyHOUPZXKGFWHMKU-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 7-methyl-8-[2-(trifluoromethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 118525838
methyl 8-(4-cyanophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate
CID 58407245
N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
CID 58407486
methyl 7,9,9-trifluorofluorene-3-carboxylate
CID 170296669
methyl 8-hydroxy-7-isocyano-5,6-dihydronaphthalene-2-carboxylate
CID 140747764
dimethyl 5-(4-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 8001456
methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
CID 118619357
methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 58406815
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
methyl 3-(4-fluoro-2-methylphenyl)-5-nitrobenzoate
CID 115512405
methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate
CID 58055424
CID 170307924
CID 170307924

Frequently Asked Questions

What is the IUPAC name of methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate (CID 58406959) is methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(c1ccc(F)cc1C)=C(C)CC2.
What is the InChIKey of methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is HOUPZXKGFWHMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO2/c1-12-4-5-14-6-7-15(20(22)23-3)11-18(14)19(12)17-9-8-16(21)10-13(17)2/h6-11H,4-5H2,1-3H3.
What are the key properties of methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate?
methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58406959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).