[(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol

C15H16O — CID 11830758

IUPAC[(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol
SMILESC[C@H]1c2cccc3cccc(c23)[C@]1(C)CO
InChIInChI=1S/C15H16O/c1-10-12-7-3-5-11-6-4-8-13(14(11)12)15(10,2)9-16/h3-8,10,16H,9H2,1-2H3/t10-,15+/m0/s1
InChIKeyCNLXZIICRQHIGG-ZUZCIYMTSA-N
MW212.29 g/mol
LogP3.21
Rot. Bonds1

About [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol

[(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol (PubChem CID 11830758) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol.

Molecular Properties

Compound Name[(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol
PubChem CID11830758
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name[(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol
SMILESC[C@H]1c2cccc3cccc(c23)[C@]1(C)CO
InChIInChI=1S/C15H16O/c1-10-12-7-3-5-11-6-4-8-13(14(11)12)15(10,2)9-16/h3-8,10,16H,9H2,1-2H3/t10-,15+/m0/s1
InChIKeyCNLXZIICRQHIGG-ZUZCIYMTSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol?
The IUPAC name of [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol (CID 11830758) is [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol.
What is the SMILES notation for [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol?
The canonical SMILES for [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol is C[C@H]1c2cccc3cccc(c23)[C@]1(C)CO.
What is the InChIKey of [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol?
The InChIKey is CNLXZIICRQHIGG-ZUZCIYMTSA-N. The full InChI is InChI=1S/C15H16O/c1-10-12-7-3-5-11-6-4-8-13(14(11)12)15(10,2)9-16/h3-8,10,16H,9H2,1-2H3/t10-,15+/m0/s1.
What are the key properties of [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol?
[(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol has a molecular weight of 212.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol is sourced from PubChem (CID 11830758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).