(2R)-2-(4-propylphenoxy)propanoyl chloride

C12H15ClO2 — CID 86712374

IUPAC(2R)-2-(4-propylphenoxy)propanoyl chloride
SMILESCCCc1ccc(O[C@H](C)C(=O)Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-3-4-10-5-7-11(8-6-10)15-9(2)12(13)14/h5-9H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyRFPSZUMSJGCRDU-SECBINFHSA-N
MW226.70 g/mol
LogP3.17
Rot. Bonds5

About (2R)-2-(4-propylphenoxy)propanoyl chloride

(2R)-2-(4-propylphenoxy)propanoyl chloride (PubChem CID 86712374) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is (2R)-2-(4-propylphenoxy)propanoyl chloride.

Molecular Properties

Compound Name(2R)-2-(4-propylphenoxy)propanoyl chloride
PubChem CID86712374
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name(2R)-2-(4-propylphenoxy)propanoyl chloride
SMILESCCCc1ccc(O[C@H](C)C(=O)Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-3-4-10-5-7-11(8-6-10)15-9(2)12(13)14/h5-9H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyRFPSZUMSJGCRDU-SECBINFHSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenoxy)propanoyl chloride
CID 82041126
2-(4-octylphenoxy)propanoic acid
CID 158773320
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
CID 53266042
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
CID 53266101
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225
(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 28825316
N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266130
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
N-(5-chloro-2-methoxyphenyl)-2-(4-propylphenoxy)propanamide
CID 53265987

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-propylphenoxy)propanoyl chloride?
The IUPAC name of (2R)-2-(4-propylphenoxy)propanoyl chloride (CID 86712374) is (2R)-2-(4-propylphenoxy)propanoyl chloride.
What is the SMILES notation for (2R)-2-(4-propylphenoxy)propanoyl chloride?
The canonical SMILES for (2R)-2-(4-propylphenoxy)propanoyl chloride is CCCc1ccc(O[C@H](C)C(=O)Cl)cc1.
What is the InChIKey of (2R)-2-(4-propylphenoxy)propanoyl chloride?
The InChIKey is RFPSZUMSJGCRDU-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-3-4-10-5-7-11(8-6-10)15-9(2)12(13)14/h5-9H,3-4H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-(4-propylphenoxy)propanoyl chloride?
(2R)-2-(4-propylphenoxy)propanoyl chloride has a molecular weight of 226.70 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-propylphenoxy)propanoyl chloride is sourced from PubChem (CID 86712374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).