(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol

C13H17ClO2 — CID 106438842

IUPAC(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OC/C(C)=C/Cl)cc1
InChIInChI=1S/C13H17ClO2/c1-3-13(15)11-4-6-12(7-5-11)16-9-10(2)8-14/h4-8,13,15H,3,9H2,1-2H3/b10-8+/t13-/m0/s1
InChIKeyWPMVVLJOEBYNSE-FROQITRMSA-N
MW240.73 g/mol
LogP3.65
Rot. Bonds5

About (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol

(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol (PubChem CID 106438842) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
PubChem CID106438842
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OC/C(C)=C/Cl)cc1
InChIInChI=1S/C13H17ClO2/c1-3-13(15)11-4-6-12(7-5-11)16-9-10(2)8-14/h4-8,13,15H,3,9H2,1-2H3/b10-8+/t13-/m0/s1
InChIKeyWPMVVLJOEBYNSE-FROQITRMSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzene
CID 106440303
1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol
CID 43504561
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438801
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
CID 60887102
(1S)-1-(4-but-2-enoxyphenyl)propan-1-ol
CID 78934082
1-[4-(1-hydroxypropyl)phenoxy]-2-methylpropan-2-ol
CID 60883807
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
N-(cyanomethyl)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]acetamide
CID 78934153
ethyl 4-[(E)-3-chloro-2-methylprop-2-enoxy]benzoate
CID 106436664
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol (CID 106438842) is (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccc(OC/C(C)=C/Cl)cc1.
What is the InChIKey of (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol?
The InChIKey is WPMVVLJOEBYNSE-FROQITRMSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-3-13(15)11-4-6-12(7-5-11)16-9-10(2)8-14/h4-8,13,15H,3,9H2,1-2H3/b10-8+/t13-/m0/s1.
What are the key properties of (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol?
(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol is sourced from PubChem (CID 106438842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).