(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol

C17H17ClO2 — CID 78930104

IUPAC(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OCC=Cc1ccccc1
InChIInChI=1S/C17H17ClO2/c1-13(19)16-12-15(18)9-10-17(16)20-11-5-8-14-6-3-2-4-7-14/h2-10,12-13,19H,11H2,1H3/t13-/m1/s1
InChIKeyUISUTFPFLRUVTM-CYBMUJFWSA-N
MW288.77 g/mol
LogP4.49
Rot. Bonds5

About (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol

(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol (PubChem CID 78930104) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol
PubChem CID78930104
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1OCC=Cc1ccccc1
InChIInChI=1S/C17H17ClO2/c1-13(19)16-12-15(18)9-10-17(16)20-11-5-8-14-6-3-2-4-7-14/h2-10,12-13,19H,11H2,1H3/t13-/m1/s1
InChIKeyUISUTFPFLRUVTM-CYBMUJFWSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
CID 43505396
(1S)-1-[4-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
CID 102949116
(1R)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63364444
(1R)-1-[5-chloro-2-(2-phenylethoxy)phenyl]ethanol
CID 78931026
1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 62937479
(1S)-1-[5-chloro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 78933528
5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
CID 27266848
1-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-3-methylbutan-2-ol
CID 114249646
(1S)-1-[5-methyl-2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936353
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936519
3-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-1-ol
CID 104881539
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol (CID 78930104) is (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol is C[C@@H](O)c1cc(Cl)ccc1OCC=Cc1ccccc1.
What is the InChIKey of (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol?
The InChIKey is UISUTFPFLRUVTM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-13(19)16-12-15(18)9-10-17(16)20-11-5-8-14-6-3-2-4-7-14/h2-10,12-13,19H,11H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol?
(1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol has a molecular weight of 288.77 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-(3-phenylprop-2-enoxy)phenyl]ethanol is sourced from PubChem (CID 78930104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).