2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol

C13H12Cl2O2 — CID 164892254

IUPAC2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
SMILESCOc1ccc2cc(C(O)C(Cl)Cl)ccc2c1
InChIInChI=1S/C13H12Cl2O2/c1-17-11-5-4-8-6-10(12(16)13(14)15)3-2-9(8)7-11/h2-7,12-13,16H,1H3
InChIKeyODZGBDBUSUOOKY-UHFFFAOYSA-N
MW271.14 g/mol
LogP3.69
Rot. Bonds3

About 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol

2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol (PubChem CID 164892254) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
PubChem CID164892254
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
SMILESCOc1ccc2cc(C(O)C(Cl)Cl)ccc2c1
InChIInChI=1S/C13H12Cl2O2/c1-17-11-5-4-8-6-10(12(16)13(14)15)3-2-9(8)7-11/h2-7,12-13,16H,1H3
InChIKeyODZGBDBUSUOOKY-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(6-methoxynaphthalen-2-yl)butane-1,2-diol
CID 171894610
2-(6-methoxynaphthalen-2-yl)-4-methylpentan-3-ol
CID 79298435
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
CID 171858748
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754
1-(6-methoxynaphthalen-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891027
chloro-(4-methoxyphenyl)methanol
CID 130923369
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
hydroxy-(6-methoxynaphthalen-2-yl)methanesulfonic acid
CID 4161166
(1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol
CID 71503540

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol?
The IUPAC name of 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol (CID 164892254) is 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol is COc1ccc2cc(C(O)C(Cl)Cl)ccc2c1.
What is the InChIKey of 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol?
The InChIKey is ODZGBDBUSUOOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2/c1-17-11-5-4-8-6-10(12(16)13(14)15)3-2-9(8)7-11/h2-7,12-13,16H,1H3.
What are the key properties of 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol?
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol has a molecular weight of 271.14 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol is sourced from PubChem (CID 164892254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).