(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol

C11H13ClO2 — CID 130562903

IUPAC(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OC1CC1
InChIInChI=1S/C11H13ClO2/c1-7(13)10-6-8(12)2-5-11(10)14-9-3-4-9/h2,5-7,9,13H,3-4H2,1H3/t7-/m0/s1
InChIKeyWBUYVWDOUBJEDF-ZETCQYMHSA-N
MW212.68 g/mol
LogP2.93
Rot. Bonds3

About (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol

(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol (PubChem CID 130562903) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
PubChem CID130562903
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OC1CC1
InChIInChI=1S/C11H13ClO2/c1-7(13)10-6-8(12)2-5-11(10)14-9-3-4-9/h2,5-7,9,13H,3-4H2,1H3/t7-/m0/s1
InChIKeyWBUYVWDOUBJEDF-ZETCQYMHSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 78999288
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899374
(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
CID 82929051
(1R)-1-[5-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940303
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
CID 86322333
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
1-[5-chloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135137
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol?
The IUPAC name of (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol (CID 130562903) is (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol is C[C@H](O)c1cc(Cl)ccc1OC1CC1.
What is the InChIKey of (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol?
The InChIKey is WBUYVWDOUBJEDF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-7(13)10-6-8(12)2-5-11(10)14-9-3-4-9/h2,5-7,9,13H,3-4H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol?
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol has a molecular weight of 212.68 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol is sourced from PubChem (CID 130562903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).