[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate

C16H14O3 — CID 13098252

IUPAC[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate
SMILESCC(=O)O[C@@H]1c2ccccc2-c2ccccc2[C@H]1O
InChIInChI=1S/C16H14O3/c1-10(17)19-16-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15(16)18/h2-9,15-16,18H,1H3/t15-,16-/m1/s1
InChIKeyMEYODISKFMDNPI-HZPDHXFCSA-N
MW254.29 g/mol
LogP3.00
Rot. Bonds1

About [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate

[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate (PubChem CID 13098252) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate.

Molecular Properties

Compound Name[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate
PubChem CID13098252
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate
SMILESCC(=O)O[C@@H]1c2ccccc2-c2ccccc2[C@H]1O
InChIInChI=1S/C16H14O3/c1-10(17)19-16-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15(16)18/h2-9,15-16,18H,1H3/t15-,16-/m1/s1
InChIKeyMEYODISKFMDNPI-HZPDHXFCSA-N
XLogP3.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate?
The IUPAC name of [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate (CID 13098252) is [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate.
What is the SMILES notation for [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate?
The canonical SMILES for [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate is CC(=O)O[C@@H]1c2ccccc2-c2ccccc2[C@H]1O.
What is the InChIKey of [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate?
The InChIKey is MEYODISKFMDNPI-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H14O3/c1-10(17)19-16-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15(16)18/h2-9,15-16,18H,1H3/t15-,16-/m1/s1.
What are the key properties of [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate?
[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate has a molecular weight of 254.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl] acetate is sourced from PubChem (CID 13098252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).