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

C13H17ClO2 — CID 106438801

IUPAC1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1OC/C(C)=C/Cl
InChIInChI=1S/C13H17ClO2/c1-3-12(15)11-6-4-5-7-13(11)16-9-10(2)8-14/h4-8,12,15H,3,9H2,1-2H3/b10-8+
InChIKeyUHSXLLKNTQBSAQ-CSKARUKUSA-N
MW240.73 g/mol
LogP3.65
Rot. Bonds5

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

1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol (PubChem CID 106438801) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
PubChem CID106438801
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1OC/C(C)=C/Cl
InChIInChI=1S/C13H17ClO2/c1-3-12(15)11-6-4-5-7-13(11)16-9-10(2)8-14/h4-8,12,15H,3,9H2,1-2H3/b10-8+
InChIKeyUHSXLLKNTQBSAQ-CSKARUKUSA-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-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436811
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
(1S)-1-(2-but-2-enoxyphenyl)propan-1-ol
CID 78930646
(1S)-1-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol
CID 106438842
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
N-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503572
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol (CID 106438801) is 1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol is CCC(O)c1ccccc1OC/C(C)=C/Cl.
What is the InChIKey of 1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol?
The InChIKey is UHSXLLKNTQBSAQ-CSKARUKUSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-3-12(15)11-6-4-5-7-13(11)16-9-10(2)8-14/h4-8,12,15H,3,9H2,1-2H3/b10-8+.
What are the key properties of 1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol?
1-[2-[(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 1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]propan-1-ol is sourced from PubChem (CID 106438801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).