(3R)-3-phenylmethoxybutanoyl chloride

C11H13ClO2 — CID 13496815

IUPAC(3R)-3-phenylmethoxybutanoyl chloride
SMILESC[C@H](CC(=O)Cl)OCc1ccccc1
InChIInChI=1S/C11H13ClO2/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyVWZKBYOPZMBEJZ-SECBINFHSA-N
MW212.68 g/mol
LogP2.75
Rot. Bonds5

About (3R)-3-phenylmethoxybutanoyl chloride

(3R)-3-phenylmethoxybutanoyl chloride (PubChem CID 13496815) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (3R)-3-phenylmethoxybutanoyl chloride.

Molecular Properties

Compound Name(3R)-3-phenylmethoxybutanoyl chloride
PubChem CID13496815
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(3R)-3-phenylmethoxybutanoyl chloride
SMILESC[C@H](CC(=O)Cl)OCc1ccccc1
InChIInChI=1S/C11H13ClO2/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChIKeyVWZKBYOPZMBEJZ-SECBINFHSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.75
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

(4S)-4-phenylmethoxypentan-2-one
CID 13214355
(4S)-1-bromo-4-phenylmethoxypentan-2-one
CID 86658652
(3S)-2,3-dimethyl-5-phenylmethoxyhexanoic acid
CID 175615592
methanol;3-phenylmethoxybutanal
CID 170758415
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
3-oxo-2-phenylmethoxybutanoyl chloride
CID 175519771
benzyl 3-carbonochloridoyloxybutanoate
CID 141482174
butan-2-yloxymethylbenzene;ethane
CID 161043537
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
1-chloroethoxymethylbenzene
CID 12510706
benzyl 2-benzyl-5-phenylmethoxyhexanoate
CID 176961761
[(2S)-2-phenylmethoxypropyl] 2-bromoacetate
CID 131871221

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylmethoxybutanoyl chloride?
The IUPAC name of (3R)-3-phenylmethoxybutanoyl chloride (CID 13496815) is (3R)-3-phenylmethoxybutanoyl chloride.
What is the SMILES notation for (3R)-3-phenylmethoxybutanoyl chloride?
The canonical SMILES for (3R)-3-phenylmethoxybutanoyl chloride is C[C@H](CC(=O)Cl)OCc1ccccc1.
What is the InChIKey of (3R)-3-phenylmethoxybutanoyl chloride?
The InChIKey is VWZKBYOPZMBEJZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-phenylmethoxybutanoyl chloride?
(3R)-3-phenylmethoxybutanoyl chloride has a molecular weight of 212.68 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylmethoxybutanoyl chloride is sourced from PubChem (CID 13496815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).