methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate

C20H18O3 — CID 58407405

IUPACmethyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1cccc(C(C)=O)c1)=CCC2
InChIInChI=1S/C20H18O3/c1-13(21)15-6-3-7-16(11-15)18-8-4-5-14-9-10-17(12-19(14)18)20(22)23-2/h3,6-12H,4-5H2,1-2H3
InChIKeyDJLPXNIXUONGGJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.05
Rot. Bonds3

About methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate

methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58407405) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58407405
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Namemethyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1cccc(C(C)=O)c1)=CCC2
InChIInChI=1S/C20H18O3/c1-13(21)15-6-3-7-16(11-15)18-8-4-5-14-9-10-17(12-19(14)18)20(22)23-2/h3,6-12H,4-5H2,1-2H3
InChIKeyDJLPXNIXUONGGJ-UHFFFAOYSA-N
XLogP4.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407203
methyl 8-(4-nitrophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407020
methyl 8-pyrazin-2-yl-5,6-dihydronaphthalene-2-carboxylate
CID 58406598
methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407462
methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 89076920
methyl 3-acetylbenzoate
CID 15094405
methyl 5-phenyl-2,3-dihydro-1-benzoxepine-7-carboxylate
CID 58406511
8-[3-(hydroxymethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407073
8-(3-isocyanophenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407546
methyl 4-[5-(3,4-dihydronaphthalen-1-yl)-1,3,4-oxadiazol-2-yl]benzoate
CID 126762850
methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 58406691
methyl 3-pyridin-4-ylbenzoate
CID 5152687

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate (CID 58407405) is methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(c1cccc(C(C)=O)c1)=CCC2.
What is the InChIKey of methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is DJLPXNIXUONGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-13(21)15-6-3-7-16(11-15)18-8-4-5-14-9-10-17(12-19(14)18)20(22)23-2/h3,6-12H,4-5H2,1-2H3.
What are the key properties of methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate?
methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58407405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).