(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one

C14H12O2 — CID 139122410

IUPAC(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
SMILESCO[C@H]1CC(=O)c2c1ccc1ccccc21
InChIInChI=1S/C14H12O2/c1-16-13-8-12(15)14-10-5-3-2-4-9(10)6-7-11(13)14/h2-7,13H,8H2,1H3/t13-/m0/s1
InChIKeyAXWNXQJGKXIWNN-ZDUSSCGKSA-N
MW212.25 g/mol
LogP3.11
Rot. Bonds1

About (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one

(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one (PubChem CID 139122410) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one.

Molecular Properties

Compound Name(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
PubChem CID139122410
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
SMILESCO[C@H]1CC(=O)c2c1ccc1ccccc21
InChIInChI=1S/C14H12O2/c1-16-13-8-12(15)14-10-5-3-2-4-9(10)6-7-11(13)14/h2-7,13H,8H2,1H3/t13-/m0/s1
InChIKeyAXWNXQJGKXIWNN-ZDUSSCGKSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The IUPAC name of (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one (CID 139122410) is (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one.
What is the SMILES notation for (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The canonical SMILES for (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one is CO[C@H]1CC(=O)c2c1ccc1ccccc21.
What is the InChIKey of (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The InChIKey is AXWNXQJGKXIWNN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12O2/c1-16-13-8-12(15)14-10-5-3-2-4-9(10)6-7-11(13)14/h2-7,13H,8H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one?
(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one has a molecular weight of 212.25 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one is sourced from PubChem (CID 139122410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).