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

C12H15ClO3 — CID 78931308

IUPAC(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
SMILESC=C(Cl)COc1ccc([C@@H](C)O)cc1OC
InChIInChI=1S/C12H15ClO3/c1-8(13)7-16-11-5-4-10(9(2)14)6-12(11)15-3/h4-6,9,14H,1,7H2,2-3H3/t9-/m1/s1
InChIKeyQYRYAEADZYGUFJ-SECBINFHSA-N
MW242.70 g/mol
LogP2.88
Rot. Bonds5

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

(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol (PubChem CID 78931308) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is (1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
PubChem CID78931308
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
SMILESC=C(Cl)COc1ccc([C@@H](C)O)cc1OC
InChIInChI=1S/C12H15ClO3/c1-8(13)7-16-11-5-4-10(9(2)14)6-12(11)15-3/h4-6,9,14H,1,7H2,2-3H3/t9-/m1/s1
InChIKeyQYRYAEADZYGUFJ-SECBINFHSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanamine
CID 78936706
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 43503877
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63364493
N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]acetamide
CID 78931618
N-cyclopropyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416729
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114494404

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol (CID 78931308) is (1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol is C=C(Cl)COc1ccc([C@@H](C)O)cc1OC.
What is the InChIKey of (1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol?
The InChIKey is QYRYAEADZYGUFJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-8(13)7-16-11-5-4-10(9(2)14)6-12(11)15-3/h4-6,9,14H,1,7H2,2-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol?
(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol has a molecular weight of 242.70 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol is sourced from PubChem (CID 78931308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).