2,2-dichloro-1-naphthalen-1-ylethanol

C12H10Cl2O — CID 164892097

IUPAC2,2-dichloro-1-naphthalen-1-ylethanol
SMILESOC(c1cccc2ccccc12)C(Cl)Cl
InChIInChI=1S/C12H10Cl2O/c13-12(14)11(15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12,15H
InChIKeyHWIPCFXMDMBZGM-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.68
Rot. Bonds2

About 2,2-dichloro-1-naphthalen-1-ylethanol

2,2-dichloro-1-naphthalen-1-ylethanol (PubChem CID 164892097) has the molecular formula C12H10Cl2O and a molecular weight of 241.12 g/mol. Its IUPAC name is 2,2-dichloro-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2,2-dichloro-1-naphthalen-1-ylethanol
PubChem CID164892097
Molecular FormulaC12H10Cl2O
Molecular Weight241.12 g/mol
Exact Mass240.01
IUPAC Name2,2-dichloro-1-naphthalen-1-ylethanol
SMILESOC(c1cccc2ccccc12)C(Cl)Cl
InChIInChI=1S/C12H10Cl2O/c13-12(14)11(15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12,15H
InChIKeyHWIPCFXMDMBZGM-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.68
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

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
4-chloro-1-naphthalen-1-ylbutane-1,2-diol
CID 171893987
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549
1,3,4-trihydroxy-4-naphthalen-1-ylbutan-2-one
CID 102281218
2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
CID 164892255
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-naphthalen-1-ylethanol?
The IUPAC name of 2,2-dichloro-1-naphthalen-1-ylethanol (CID 164892097) is 2,2-dichloro-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2,2-dichloro-1-naphthalen-1-ylethanol?
The canonical SMILES for 2,2-dichloro-1-naphthalen-1-ylethanol is OC(c1cccc2ccccc12)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-naphthalen-1-ylethanol?
The InChIKey is HWIPCFXMDMBZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O/c13-12(14)11(15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12,15H.
What are the key properties of 2,2-dichloro-1-naphthalen-1-ylethanol?
2,2-dichloro-1-naphthalen-1-ylethanol has a molecular weight of 241.12 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-naphthalen-1-ylethanol is sourced from PubChem (CID 164892097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).