1-(4-hydroxyphenyl)hexyl prop-2-enoate

C15H20O3 — CID 163283433

IUPAC1-(4-hydroxyphenyl)hexyl prop-2-enoate
SMILESC=CC(=O)OC(CCCCC)c1ccc(O)cc1
InChIInChI=1S/C15H20O3/c1-3-5-6-7-14(18-15(17)4-2)12-8-10-13(16)11-9-12/h4,8-11,14,16H,2-3,5-7H2,1H3
InChIKeyWRNPHVPQUDCCQZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.74
Rot. Bonds7

About 1-(4-hydroxyphenyl)hexyl prop-2-enoate

1-(4-hydroxyphenyl)hexyl prop-2-enoate (PubChem CID 163283433) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)hexyl prop-2-enoate.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)hexyl prop-2-enoate
PubChem CID163283433
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(4-hydroxyphenyl)hexyl prop-2-enoate
SMILESC=CC(=O)OC(CCCCC)c1ccc(O)cc1
InChIInChI=1S/C15H20O3/c1-3-5-6-7-14(18-15(17)4-2)12-8-10-13(16)11-9-12/h4,8-11,14,16H,2-3,5-7H2,1H3
InChIKeyWRNPHVPQUDCCQZ-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
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

1-(2-aminophenyl)hexyl prop-2-enoate
CID 70261275
heptadecan-8-yl prop-2-enoate
CID 121420657
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
octadecan-6-yl prop-2-enoate
CID 91523695
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323
1-(2-chloro-3-pyridinyl)dodecyl prop-2-enoate
CID 175037946
1-(3-chloro-2-pyridinyl)dodecyl prop-2-enoate
CID 141307339
tridecan-5-yl prop-2-enoate
CID 141073146
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
1-hydroxyoctyl prop-2-enoate
CID 22340227
1-iodotridecyl prop-2-enoate
CID 90218413
pentadecan-4-yl prop-2-enoate
CID 543287

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)hexyl prop-2-enoate?
The IUPAC name of 1-(4-hydroxyphenyl)hexyl prop-2-enoate (CID 163283433) is 1-(4-hydroxyphenyl)hexyl prop-2-enoate.
What is the SMILES notation for 1-(4-hydroxyphenyl)hexyl prop-2-enoate?
The canonical SMILES for 1-(4-hydroxyphenyl)hexyl prop-2-enoate is C=CC(=O)OC(CCCCC)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)hexyl prop-2-enoate?
The InChIKey is WRNPHVPQUDCCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-5-6-7-14(18-15(17)4-2)12-8-10-13(16)11-9-12/h4,8-11,14,16H,2-3,5-7H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)hexyl prop-2-enoate?
1-(4-hydroxyphenyl)hexyl prop-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)hexyl prop-2-enoate is sourced from PubChem (CID 163283433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).