5-(4-methylphenoxy)pentan-2-yl prop-2-enoate

C15H20O3 — CID 23527604

IUPAC5-(4-methylphenoxy)pentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCOc1ccc(C)cc1
InChIInChI=1S/C15H20O3/c1-4-15(16)18-13(3)6-5-11-17-14-9-7-12(2)8-10-14/h4,7-10,13H,1,5-6,11H2,2-3H3
InChIKeyHZIQJESPJIOLPD-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.27
Rot. Bonds7

About 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate

5-(4-methylphenoxy)pentan-2-yl prop-2-enoate (PubChem CID 23527604) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate.

Molecular Properties

Compound Name5-(4-methylphenoxy)pentan-2-yl prop-2-enoate
PubChem CID23527604
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5-(4-methylphenoxy)pentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCOc1ccc(C)cc1
InChIInChI=1S/C15H20O3/c1-4-15(16)18-13(3)6-5-11-17-14-9-7-12(2)8-10-14/h4,7-10,13H,1,5-6,11H2,2-3H3
InChIKeyHZIQJESPJIOLPD-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[4-[4-(4-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexan-3-yl prop-2-enoate
CID 90003140
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
phenyl 4-(6-prop-2-enoyloxyheptoxy)benzoate
CID 141341856
6-(4-hydroxyphenoxy)hexan-3-yl prop-2-enoate
CID 175435044
[3-methyl-4-[4-(3-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxybutoxy)benzoate
CID 142724738
5-methylhexan-2-yl prop-2-enoate
CID 151222941
(2-phenylphenyl) 4-(6-prop-2-enoyloxyheptoxy)benzoate
CID 141252277
2-hydroxy-5-(4-methylphenoxy)pentanoic acid
CID 69033071
3-[4-(4-octan-2-yloxyphenyl)phenoxy]propyl prop-2-enoate
CID 20566704
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
5-(4-methylphenoxy)pentane-2-thiol
CID 57005602

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate?
The IUPAC name of 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate (CID 23527604) is 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate.
What is the SMILES notation for 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate?
The canonical SMILES for 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCOc1ccc(C)cc1.
What is the InChIKey of 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate?
The InChIKey is HZIQJESPJIOLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-15(16)18-13(3)6-5-11-17-14-9-7-12(2)8-10-14/h4,7-10,13H,1,5-6,11H2,2-3H3.
What are the key properties of 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate?
5-(4-methylphenoxy)pentan-2-yl prop-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenoxy)pentan-2-yl prop-2-enoate is sourced from PubChem (CID 23527604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).