(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol

C11H13ClO2 — CID 78930519

IUPAC(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol
SMILESC=C(Cl)COc1ccc([C@H](C)O)cc1
InChIInChI=1S/C11H13ClO2/c1-8(12)7-14-11-5-3-10(4-6-11)9(2)13/h3-6,9,13H,1,7H2,2H3/t9-/m0/s1
InChIKeyGFMRGFIFILCFCP-VIFPVBQESA-N
MW212.68 g/mol
LogP2.87
Rot. Bonds4

About (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol

(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol (PubChem CID 78930519) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol
PubChem CID78930519
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol
SMILESC=C(Cl)COc1ccc([C@H](C)O)cc1
InChIInChI=1S/C11H13ClO2/c1-8(12)7-14-11-5-3-10(4-6-11)9(2)13/h3-6,9,13H,1,7H2,2H3/t9-/m0/s1
InChIKeyGFMRGFIFILCFCP-VIFPVBQESA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 43504343
(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
CID 78931308
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087
1-[4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 60880421
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
(1S)-1-[4-(3-fluoropropoxy)phenyl]ethanol
CID 81113862
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol (CID 78930519) is (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol is C=C(Cl)COc1ccc([C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol?
The InChIKey is GFMRGFIFILCFCP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(12)7-14-11-5-3-10(4-6-11)9(2)13/h3-6,9,13H,1,7H2,2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol?
(1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol has a molecular weight of 212.68 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-chloroprop-2-enoxy)phenyl]ethanol is sourced from PubChem (CID 78930519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).