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

C15H16O — CID 11745937

IUPAC[(1R,2R)-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-/m1/s1
InChIKeyCNLXZIICRQHIGG-MEBBXXQBSA-N
MW212.29 g/mol
LogP3.21
Rot. Bonds1

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

[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol (PubChem CID 11745937) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is [(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol.

Molecular Properties

Compound Name[(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol
PubChem CID11745937
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name[(1R,2R)-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-/m1/s1
InChIKeyCNLXZIICRQHIGG-MEBBXXQBSA-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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Related Compounds

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(+-)-Acenaphthenol
CID 22750
3-Deoxyestradiol
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1-Fluorenemethanol
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2-Naphthaleneethanol
CID 73877
1H-Indene-5-ethanol, 2,3-dihydro-beta,1,1,2,3,3-hexamethyl-
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Kujigamberol
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Phycomysterol A
CID 11794191
Neoergosterol
CID 10571850
(1-Methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 14114269
Naphthalen-1-ethanol
CID 13047

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol?
The IUPAC name of [(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol (CID 11745937) is [(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol.
What is the SMILES notation for [(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol?
The canonical SMILES for [(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol is C[C@@H]1c2cccc3cccc(c23)[C@]1(C)CO.
What is the InChIKey of [(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol?
The InChIKey is CNLXZIICRQHIGG-MEBBXXQBSA-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-/m1/s1.
What are the key properties of [(1R,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol?
[(1R,2R)-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,2R)-1,2-dimethyl-2H-acenaphthylen-1-yl]methanol is sourced from PubChem (CID 11745937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).