methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate

C16H14O3 — CID 132579646

IUPACmethyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate
SMILESCOC(=O)C12C=CC(=O)C=C1c1ccccc1CC2
InChIInChI=1S/C16H14O3/c1-19-15(18)16-8-6-11-4-2-3-5-13(11)14(16)10-12(17)7-9-16/h2-5,7,9-10H,6,8H2,1H3
InChIKeyJQSYXTFVIZTZDQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.31
Rot. Bonds1

About methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate

methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate (PubChem CID 132579646) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate
PubChem CID132579646
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Namemethyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate
SMILESCOC(=O)C12C=CC(=O)C=C1c1ccccc1CC2
InChIInChI=1S/C16H14O3/c1-19-15(18)16-8-6-11-4-2-3-5-13(11)14(16)10-12(17)7-9-16/h2-5,7,9-10H,6,8H2,1H3
InChIKeyJQSYXTFVIZTZDQ-UHFFFAOYSA-N
XLogP2.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-bromo-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101369377
(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one
CID 71388427
methyl 2-methoxy-3-oxo-1H-indene-2-carboxylate
CID 102173835
methyl (2S)-2-[(3S)-2,5-dioxopyrrolidin-3-yl]-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 102195550
methyl (3S)-3-methyl-1-oxo-4H-isochromene-3-carboxylate
CID 907846
dimethyl 5-methyltricyclo[7.4.0.02,5]trideca-1(13),2,9,11-tetraene-7,7-dicarboxylate
CID 102454087
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
methyl 3-oxo-2-propan-2-yl-1H-indene-2-carboxylate
CID 13461881
methyl 2-hydroxy-1-oxonaphthalene-2-carboxylate
CID 16754218
propan-2-yl (2S)-2-hydroxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 162401307
methyl 6-hydroxy-6-(2-methyl-1-oxo-3,4-dihydronaphthalen-2-yl)hexanoate
CID 70010309

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate?
The IUPAC name of methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate (CID 132579646) is methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate.
What is the SMILES notation for methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate?
The canonical SMILES for methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate is COC(=O)C12C=CC(=O)C=C1c1ccccc1CC2.
What is the InChIKey of methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate?
The InChIKey is JQSYXTFVIZTZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-15(18)16-8-6-11-4-2-3-5-13(11)14(16)10-12(17)7-9-16/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate?
methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-9,10-dihydrophenanthrene-8a-carboxylate is sourced from PubChem (CID 132579646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).