2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol

C11H11ClO2 — CID 174923221

IUPAC2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol
SMILESC#CC(OCCO)c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO2/c1-2-11(14-7-6-13)9-4-3-5-10(12)8-9/h1,3-5,8,11,13H,6-7H2
InChIKeyXQFVNWBJSLLIJZ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.02
Rot. Bonds4

About 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol

2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol (PubChem CID 174923221) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol
PubChem CID174923221
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol
SMILESC#CC(OCCO)c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO2/c1-2-11(14-7-6-13)9-4-3-5-10(12)8-9/h1,3-5,8,11,13H,6-7H2
InChIKeyXQFVNWBJSLLIJZ-UHFFFAOYSA-N
XLogP2.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-pyridin-3-ylprop-2-ynoxy)ethanol
CID 174923212
2-[3-(difluoromethyl)phenyl]-2-(2-hydroxyethoxy)acetonitrile
CID 103375914
[2-(3-chlorophenyl)-2-(2-hydroxyethoxy)ethyl] acetate
CID 67713729
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
1-chloro-3-[1-(3-chlorophenyl)but-3-yn-2-yl]benzene
CID 91804158
1-(3-chlorophenyl)prop-2-ynylhydrazine
CID 105194623
(3-chlorophenyl)methanediol
CID 20679602
2-(3-chlorophenyl)-3-ethoxy-3-hydroxypropanenitrile
CID 155141077
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
N-[1-(3-chlorophenyl)propyl]pent-1-yn-3-amine
CID 106224494
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol?
The IUPAC name of 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol (CID 174923221) is 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol.
What is the SMILES notation for 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol?
The canonical SMILES for 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol is C#CC(OCCO)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol?
The InChIKey is XQFVNWBJSLLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-11(14-7-6-13)9-4-3-5-10(12)8-9/h1,3-5,8,11,13H,6-7H2.
What are the key properties of 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol?
2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol has a molecular weight of 210.66 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)prop-2-ynoxy]ethanol is sourced from PubChem (CID 174923221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).