5-(4-methoxyphenyl)pentanoyl chloride

C12H15ClO2 — CID 21497235

IUPAC5-(4-methoxyphenyl)pentanoyl chloride
SMILESCOc1ccc(CCCCC(=O)Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h6-9H,2-5H2,1H3
InChIKeyVIYFCMLSFZMFEL-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.17
Rot. Bonds6

About 5-(4-methoxyphenyl)pentanoyl chloride

5-(4-methoxyphenyl)pentanoyl chloride (PubChem CID 21497235) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)pentanoyl chloride.

Molecular Properties

Compound Name5-(4-methoxyphenyl)pentanoyl chloride
PubChem CID21497235
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name5-(4-methoxyphenyl)pentanoyl chloride
SMILESCOc1ccc(CCCCC(=O)Cl)cc1
InChIInChI=1S/C12H15ClO2/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h6-9H,2-5H2,1H3
InChIKeyVIYFCMLSFZMFEL-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)pentanamide
CID 134389506
(5-chloro-5-oxopentyl)-[(4-methoxyphenyl)methyl]carbamic acid
CID 87476369
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
4-(4-methoxyphenyl)-1-(1-methylcyclopropyl)butan-1-one
CID 175624842
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
6-chloro-1-(4-methoxyphenyl)hexan-3-one
CID 66046584

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)pentanoyl chloride?
The IUPAC name of 5-(4-methoxyphenyl)pentanoyl chloride (CID 21497235) is 5-(4-methoxyphenyl)pentanoyl chloride.
What is the SMILES notation for 5-(4-methoxyphenyl)pentanoyl chloride?
The canonical SMILES for 5-(4-methoxyphenyl)pentanoyl chloride is COc1ccc(CCCCC(=O)Cl)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)pentanoyl chloride?
The InChIKey is VIYFCMLSFZMFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h6-9H,2-5H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)pentanoyl chloride?
5-(4-methoxyphenyl)pentanoyl chloride has a molecular weight of 226.70 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)pentanoyl chloride is sourced from PubChem (CID 21497235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).