[(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate

C18H16O4 — CID 6427274

IUPAC[(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate
SMILESCC(=O)O[C@H]1c2ccccc2-c2ccccc2[C@@H]1OC(C)=O
InChIInChI=1S/C18H16O4/c1-11(19)21-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18(17)22-12(2)20/h3-10,17-18H,1-2H3/t17-,18-/m0/s1
InChIKeyAFGAFKSFAIFLNO-ROUUACIJSA-N
MW296.32 g/mol
LogP3.58
Rot. Bonds2

About [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate

[(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate (PubChem CID 6427274) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate.

Molecular Properties

Compound Name[(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate
PubChem CID6427274
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name[(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate
SMILESCC(=O)O[C@H]1c2ccccc2-c2ccccc2[C@@H]1OC(C)=O
InChIInChI=1S/C18H16O4/c1-11(19)21-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18(17)22-12(2)20/h3-10,17-18H,1-2H3/t17-,18-/m0/s1
InChIKeyAFGAFKSFAIFLNO-ROUUACIJSA-N
XLogP3.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate?
The IUPAC name of [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate (CID 6427274) is [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate.
What is the SMILES notation for [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate?
The canonical SMILES for [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate is CC(=O)O[C@H]1c2ccccc2-c2ccccc2[C@@H]1OC(C)=O.
What is the InChIKey of [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate?
The InChIKey is AFGAFKSFAIFLNO-ROUUACIJSA-N. The full InChI is InChI=1S/C18H16O4/c1-11(19)21-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18(17)22-12(2)20/h3-10,17-18H,1-2H3/t17-,18-/m0/s1.
What are the key properties of [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate?
[(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate has a molecular weight of 296.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(9S,10S)-10-acetyloxy-9,10-dihydrophenanthren-9-yl] acetate is sourced from PubChem (CID 6427274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).