methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate

C17H20O3 — CID 58406691

IUPACmethyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C1CCOCC1)=CCC2
InChIInChI=1S/C17H20O3/c1-19-17(18)14-6-5-12-3-2-4-15(16(12)11-14)13-7-9-20-10-8-13/h4-6,11,13H,2-3,7-10H2,1H3
InChIKeySRBZKURHWDOPCC-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.23
Rot. Bonds2

About methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate

methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58406691) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58406691
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Namemethyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C1CCOCC1)=CCC2
InChIInChI=1S/C17H20O3/c1-19-17(18)14-6-5-12-3-2-4-15(16(12)11-14)13-7-9-20-10-8-13/h4-6,11,13H,2-3,7-10H2,1H3
InChIKeySRBZKURHWDOPCC-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-4-(oxan-4-yl)benzoate
CID 163758903
methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 58406815
methyl 8-(3,4-difluorophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407203
methyl 8-[2-(nitrosomethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 89076920
methyl 8-(3-acetylphenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407405
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-(4-nitrophenyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407020
methyl 4-oxo-2,3-dihydrochromene-7-carboxylate
CID 11769654
methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
CID 118619357
methyl 2-(oxan-4-ylmethyl)-1-oxo-3,4-dihydroisoquinoline-6-carboxylate
CID 168868445
methyl 8-(4,6-dimethylcyclohepta-1,3,5-trien-1-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 143762358

Frequently Asked Questions

What is the IUPAC name of methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate (CID 58406691) is methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(C1CCOCC1)=CCC2.
What is the InChIKey of methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is SRBZKURHWDOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-19-17(18)14-6-5-12-3-2-4-15(16(12)11-14)13-7-9-20-10-8-13/h4-6,11,13H,2-3,7-10H2,1H3.
What are the key properties of methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate?
methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58406691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).