(1S)-2-chloro-1-naphthalen-1-ylethanol

C12H11ClO — CID 68839318

IUPAC(1S)-2-chloro-1-naphthalen-1-ylethanol
SMILESO[C@H](CCl)c1cccc2ccccc12
InChIInChI=1S/C12H11ClO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8H2/t12-/m1/s1
InChIKeyMUYMUPWUEDFMCO-GFCCVEGCSA-N
MW206.67 g/mol
LogP3.11
Rot. Bonds2

About (1S)-2-chloro-1-naphthalen-1-ylethanol

(1S)-2-chloro-1-naphthalen-1-ylethanol (PubChem CID 68839318) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is (1S)-2-chloro-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name(1S)-2-chloro-1-naphthalen-1-ylethanol
PubChem CID68839318
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name(1S)-2-chloro-1-naphthalen-1-ylethanol
SMILESO[C@H](CCl)c1cccc2ccccc12
InChIInChI=1S/C12H11ClO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8H2/t12-/m1/s1
InChIKeyMUYMUPWUEDFMCO-GFCCVEGCSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-naphthalen-1-ylpentan-1-ol
CID 102525591
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
(2-hydroxy-2-naphthalen-1-ylethyl)-trimethylazanium
CID 91999379
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
2-[(2-hydroxy-2-naphthalen-1-ylethoxy)methoxy]-1-naphthalen-1-ylethanol
CID 67658257
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
1-(1-chloro-4-methylpentan-2-yl)naphthalene
CID 69413488
4-chloro-1-naphthalen-1-ylbutane-1,2-diol
CID 171893987

Frequently Asked Questions

What is the IUPAC name of (1S)-2-chloro-1-naphthalen-1-ylethanol?
The IUPAC name of (1S)-2-chloro-1-naphthalen-1-ylethanol (CID 68839318) is (1S)-2-chloro-1-naphthalen-1-ylethanol.
What is the SMILES notation for (1S)-2-chloro-1-naphthalen-1-ylethanol?
The canonical SMILES for (1S)-2-chloro-1-naphthalen-1-ylethanol is O[C@H](CCl)c1cccc2ccccc12.
What is the InChIKey of (1S)-2-chloro-1-naphthalen-1-ylethanol?
The InChIKey is MUYMUPWUEDFMCO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11ClO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8H2/t12-/m1/s1.
What are the key properties of (1S)-2-chloro-1-naphthalen-1-ylethanol?
(1S)-2-chloro-1-naphthalen-1-ylethanol has a molecular weight of 206.67 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-chloro-1-naphthalen-1-ylethanol is sourced from PubChem (CID 68839318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).