2-(3-chlorophenoxy)-1-cyclopropylethanol

C11H13ClO2 — CID 105105371

IUPAC2-(3-chlorophenoxy)-1-cyclopropylethanol
SMILESOC(COc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C11H13ClO2/c12-9-2-1-3-10(6-9)14-7-11(13)8-4-5-8/h1-3,6,8,11,13H,4-5,7H2
InChIKeyMJOVMMDHHXTNIR-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.49
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-cyclopropylethanol

2-(3-chlorophenoxy)-1-cyclopropylethanol (PubChem CID 105105371) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-cyclopropylethanol
PubChem CID105105371
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(3-chlorophenoxy)-1-cyclopropylethanol
SMILESOC(COc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C11H13ClO2/c12-9-2-1-3-10(6-9)14-7-11(13)8-4-5-8/h1-3,6,8,11,13H,4-5,7H2
InChIKeyMJOVMMDHHXTNIR-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-chlorophenoxy)-2-(thiolan-3-yl)propan-1-ol
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2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
CID 105155171
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
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1-cyclopropyl-2-(2,4,6-trichlorophenoxy)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-cyclopropylethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-cyclopropylethanol (CID 105105371) is 2-(3-chlorophenoxy)-1-cyclopropylethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-cyclopropylethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-cyclopropylethanol is OC(COc1cccc(Cl)c1)C1CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-cyclopropylethanol?
The InChIKey is MJOVMMDHHXTNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-9-2-1-3-10(6-9)14-7-11(13)8-4-5-8/h1-3,6,8,11,13H,4-5,7H2.
What are the key properties of 2-(3-chlorophenoxy)-1-cyclopropylethanol?
2-(3-chlorophenoxy)-1-cyclopropylethanol has a molecular weight of 212.68 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-cyclopropylethanol is sourced from PubChem (CID 105105371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).