1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol

C12H15ClO2 — CID 43504561

IUPAC1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OC/C=C/Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-2-12(14)10-4-6-11(7-5-10)15-9-3-8-13/h3-8,12,14H,2,9H2,1H3/b8-3+
InChIKeyJDNMAAXCQIPGFR-FPYGCLRLSA-N
MW226.70 g/mol
LogP3.26
Rot. Bonds5

About 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol

1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol (PubChem CID 43504561) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol
PubChem CID43504561
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OC/C=C/Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-2-12(14)10-4-6-11(7-5-10)15-9-3-8-13/h3-8,12,14H,2,9H2,1H3/b8-3+
InChIKeyJDNMAAXCQIPGFR-FPYGCLRLSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol (CID 43504561) is 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol is CCC(O)c1ccc(OC/C=C/Cl)cc1.
What is the InChIKey of 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol?
The InChIKey is JDNMAAXCQIPGFR-FPYGCLRLSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-2-12(14)10-4-6-11(7-5-10)15-9-3-8-13/h3-8,12,14H,2,9H2,1H3/b8-3+.
What are the key properties of 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol?
1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol has a molecular weight of 226.70 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]propan-1-ol is sourced from PubChem (CID 43504561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).