(1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol

C12H15ClO2 — CID 78947134

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

About (1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol

(1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol (PubChem CID 78947134) 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)-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol
PubChem CID78947134
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name(1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol
SMILESCc1ccc([C@@H](C)O)c(OCC=CCl)c1
InChIInChI=1S/C12H15ClO2/c1-9-4-5-11(10(2)14)12(8-9)15-7-3-6-13/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1
InChIKeyKLVHMFLLWAZGJR-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)-5-methylphenyl]ethanol
CID 78931075
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849
(1S)-1-[2-(3-chloroprop-2-enoxy)phenyl]ethanol
CID 78931441
(1S)-1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylphenyl]ethanol
CID 106438849
2-[(E)-3-chloroprop-2-enoxy]-4-methylaniline
CID 107899443
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
(1R)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78931205
(1S)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78934280
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
CID 63650737
1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol
CID 114265286
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol (CID 78947134) is (1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol is Cc1ccc([C@@H](C)O)c(OCC=CCl)c1.
What is the InChIKey of (1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol?
The InChIKey is KLVHMFLLWAZGJR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-9-4-5-11(10(2)14)12(8-9)15-7-3-6-13/h3-6,8,10,14H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol?
(1R)-1-[2-(3-chloroprop-2-enoxy)-4-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)-4-methylphenyl]ethanol is sourced from PubChem (CID 78947134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).