(1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol

C12H15ClO2 — CID 78931075

IUPAC(1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol
SMILESCc1ccc(OCC=CCl)c([C@@H](C)O)c1
InChIInChI=1S/C12H15ClO2/c1-9-4-5-12(15-7-3-6-13)11(8-9)10(2)14/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1
InChIKeyZKLUETFLMMMXIJ-SNVBAGLBSA-N
MW226.70 g/mol
LogP3.18
Rot. Bonds4

About (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol

(1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol (PubChem CID 78931075) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol
PubChem CID78931075
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name(1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol
SMILESCc1ccc(OCC=CCl)c([C@@H](C)O)c1
InChIInChI=1S/C12H15ClO2/c1-9-4-5-12(15-7-3-6-13)11(8-9)10(2)14/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1
InChIKeyZKLUETFLMMMXIJ-SNVBAGLBSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol
CID 78947134
(1S)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78934280
(1R)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78931205
1-[5-methyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanol
CID 43505396
(1S)-1-[2-(3-chloroprop-2-enoxy)phenyl]ethanol
CID 78931441
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol
CID 43505392
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]propane-1,2-diol
CID 82849372
4-bromo-1-[(E)-3-chloroprop-2-enoxy]-2-propan-2-ylbenzene
CID 115402053
2-(3-chloroprop-2-enoxy)-5-methylbenzaldehyde
CID 77011402
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol (CID 78931075) is (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol is Cc1ccc(OCC=CCl)c([C@@H](C)O)c1.
What is the InChIKey of (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol?
The InChIKey is ZKLUETFLMMMXIJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-9-4-5-12(15-7-3-6-13)11(8-9)10(2)14/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol?
(1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol has a molecular weight of 226.70 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-chloroprop-2-enoxy)-5-methylphenyl]ethanol is sourced from PubChem (CID 78931075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).