(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol

C12H14O2 — CID 45091466

IUPAC(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol
SMILESCO[C@H]1C=Cc2ccccc2[C@]1(C)O
InChIInChI=1S/C12H14O2/c1-12(13)10-6-4-3-5-9(10)7-8-11(12)14-2/h3-8,11,13H,1-2H3/t11-,12-/m0/s1
InChIKeyQKDFROAVBFZUIN-RYUDHWBXSA-N
MW190.24 g/mol
LogP1.94
Rot. Bonds1

About (1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol

(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol (PubChem CID 45091466) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol
PubChem CID45091466
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol
SMILESCO[C@H]1C=Cc2ccccc2[C@]1(C)O
InChIInChI=1S/C12H14O2/c1-12(13)10-6-4-3-5-9(10)7-8-11(12)14-2/h3-8,11,13H,1-2H3/t11-,12-/m0/s1
InChIKeyQKDFROAVBFZUIN-RYUDHWBXSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.94
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-methyl-2H-naphthalen-1-ol?
The IUPAC name of (1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol (CID 45091466) is (1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol is CO[C@H]1C=Cc2ccccc2[C@]1(C)O.
What is the InChIKey of (1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol?
The InChIKey is QKDFROAVBFZUIN-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(13)10-6-4-3-5-9(10)7-8-11(12)14-2/h3-8,11,13H,1-2H3/t11-,12-/m0/s1.
What are the key properties of (1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol?
(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol has a molecular weight of 190.24 g/mol, XLogP of 1.94, 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-methyl-2H-naphthalen-1-ol is sourced from PubChem (CID 45091466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).