(1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol

C13H12O2 — CID 131858978

IUPAC(1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol
SMILESCO[C@H]1c2cccc3cccc(c23)[C@@H]1O
InChIInChI=1S/C13H12O2/c1-15-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7,12-14H,1H3/t12-,13-/m0/s1
InChIKeyTZXDRLXEATUXAZ-STQMWFEESA-N
MW200.24 g/mol
LogP2.57
Rot. Bonds1

About (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol

(1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol (PubChem CID 131858978) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol
PubChem CID131858978
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol
SMILESCO[C@H]1c2cccc3cccc(c23)[C@@H]1O
InChIInChI=1S/C13H12O2/c1-15-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7,12-14H,1H3/t12-,13-/m0/s1
InChIKeyTZXDRLXEATUXAZ-STQMWFEESA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol?
The IUPAC name of (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol (CID 131858978) is (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol.
What is the SMILES notation for (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol?
The canonical SMILES for (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol is CO[C@H]1c2cccc3cccc(c23)[C@@H]1O.
What is the InChIKey of (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol?
The InChIKey is TZXDRLXEATUXAZ-STQMWFEESA-N. The full InChI is InChI=1S/C13H12O2/c1-15-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14/h2-7,12-14H,1H3/t12-,13-/m0/s1.
What are the key properties of (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol?
(1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol has a molecular weight of 200.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methoxy-1,2-dihydroacenaphthylen-1-ol is sourced from PubChem (CID 131858978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).