3-(2-chloroprop-2-enoxy)-2-methylphenol

C10H11ClO2 — CID 43143314

IUPAC3-(2-chloroprop-2-enoxy)-2-methylphenol
SMILESC=C(Cl)COc1cccc(O)c1C
InChIInChI=1S/C10H11ClO2/c1-7(11)6-13-10-5-3-4-9(12)8(10)2/h3-5,12H,1,6H2,2H3
InChIKeyCPXZLHUUIBVXCU-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.83
Rot. Bonds3

About 3-(2-chloroprop-2-enoxy)-2-methylphenol

3-(2-chloroprop-2-enoxy)-2-methylphenol (PubChem CID 43143314) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enoxy)-2-methylphenol.

Molecular Properties

Compound Name3-(2-chloroprop-2-enoxy)-2-methylphenol
PubChem CID43143314
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name3-(2-chloroprop-2-enoxy)-2-methylphenol
SMILESC=C(Cl)COc1cccc(O)c1C
InChIInChI=1S/C10H11ClO2/c1-7(11)6-13-10-5-3-4-9(12)8(10)2/h3-5,12H,1,6H2,2H3
InChIKeyCPXZLHUUIBVXCU-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
CID 130719015
3-(2-aminoethoxy)-2-methylphenol
CID 83620006
2-(3-hydroxy-2-methylphenoxy)acetaldehyde
CID 86739690
1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 10937982
3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one
CID 54328346
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588
(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63366958
2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid
CID 110837162
2-methyl-3-(3-phenoxypropoxy)phenol
CID 62936106
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
3-(2-chloroprop-2-enoxy)-4-methylbenzo[c]chromen-6-one
CID 2062930

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enoxy)-2-methylphenol?
The IUPAC name of 3-(2-chloroprop-2-enoxy)-2-methylphenol (CID 43143314) is 3-(2-chloroprop-2-enoxy)-2-methylphenol.
What is the SMILES notation for 3-(2-chloroprop-2-enoxy)-2-methylphenol?
The canonical SMILES for 3-(2-chloroprop-2-enoxy)-2-methylphenol is C=C(Cl)COc1cccc(O)c1C.
What is the InChIKey of 3-(2-chloroprop-2-enoxy)-2-methylphenol?
The InChIKey is CPXZLHUUIBVXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7(11)6-13-10-5-3-4-9(12)8(10)2/h3-5,12H,1,6H2,2H3.
What are the key properties of 3-(2-chloroprop-2-enoxy)-2-methylphenol?
3-(2-chloroprop-2-enoxy)-2-methylphenol has a molecular weight of 198.65 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enoxy)-2-methylphenol is sourced from PubChem (CID 43143314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).