2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride

C16H23ClO2 — CID 19391870

IUPAC2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride
SMILESCCC(Oc1ccc(C)cc1C(C)(C)CC)C(=O)Cl
InChIInChI=1S/C16H23ClO2/c1-6-13(15(17)18)19-14-9-8-11(3)10-12(14)16(4,5)7-2/h8-10,13H,6-7H2,1-5H3
InChIKeyYTDPETVLQNHASD-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.61
Rot. Bonds6

About 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride

2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride (PubChem CID 19391870) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride.

Molecular Properties

Compound Name2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride
PubChem CID19391870
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride
SMILESCCC(Oc1ccc(C)cc1C(C)(C)CC)C(=O)Cl
InChIInChI=1S/C16H23ClO2/c1-6-13(15(17)18)19-14-9-8-11(3)10-12(14)16(4,5)7-2/h8-10,13H,6-7H2,1-5H3
InChIKeyYTDPETVLQNHASD-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.61
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-(2-chloro-5-methylphenoxy)butanoyl chloride
CID 46779580
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-ethylpentanoyl chloride
CID 56606464
2-(2-tert-butyl-4-methylphenoxy)propanoyl chloride
CID 82042146
tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
CID 66925984
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chlorophenyl)-N-hydroxybutanamide
CID 57239890
(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]dodecanamide
CID 59961227
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521
N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
CID 53289145
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]disulfanyl]phenyl]butanamide
CID 11828951
(2S)-N-(3-amino-4-chlorophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide
CID 92846699

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride?
The IUPAC name of 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride (CID 19391870) is 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride.
What is the SMILES notation for 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride?
The canonical SMILES for 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride is CCC(Oc1ccc(C)cc1C(C)(C)CC)C(=O)Cl.
What is the InChIKey of 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride?
The InChIKey is YTDPETVLQNHASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-6-13(15(17)18)19-14-9-8-11(3)10-12(14)16(4,5)7-2/h8-10,13H,6-7H2,1-5H3.
What are the key properties of 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride?
2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride has a molecular weight of 282.81 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]butanoyl chloride is sourced from PubChem (CID 19391870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).