5-hydroxypentyl 3-phenylprop-2-enoate

C14H18O3 — CID 71335867

IUPAC5-hydroxypentyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCCCCCO
InChIInChI=1S/C14H18O3/c15-11-5-2-6-12-17-14(16)10-9-13-7-3-1-4-8-13/h1,3-4,7-10,15H,2,5-6,11-12H2
InChIKeyRXSKCHNCSFFPEB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.41
Rot. Bonds7

About 5-hydroxypentyl 3-phenylprop-2-enoate

5-hydroxypentyl 3-phenylprop-2-enoate (PubChem CID 71335867) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-hydroxypentyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name5-hydroxypentyl 3-phenylprop-2-enoate
PubChem CID71335867
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name5-hydroxypentyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCCCCCO
InChIInChI=1S/C14H18O3/c15-11-5-2-6-12-17-14(16)10-9-13-7-3-1-4-8-13/h1,3-4,7-10,15H,2,5-6,11-12H2
InChIKeyRXSKCHNCSFFPEB-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.41
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

6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
CID 19066595
8-hydroxyoctyl 3-phenylprop-2-eneperoxoate
CID 150010433
4-bromobutyl 3-phenylprop-2-enoate
CID 72801384
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
14-methylpentadecyl 3-phenylprop-2-enoate
CID 141090504
7-cyclopropylheptyl (E)-3-phenylprop-2-enoate
CID 21445840
3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
4-(dimethylamino)butyl (E)-3-phenylprop-2-enoate
CID 21249779
4-(dimethylamino)butyl 3-phenylprop-2-enoate
CID 70229404
3-[dichloro-[3-[(E)-3-phenylprop-2-enoyl]oxypropyl]-λ4-selanyl]propyl (E)-3-phenylprop-2-enoate
CID 134925812
4-[8-(3-phenylprop-2-enoyloxy)octoxycarbonyl]cyclohexane-1-carboxylic acid
CID 121346814
octadecyl 3-[4-(3-octadecoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54159184

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl 3-phenylprop-2-enoate?
The IUPAC name of 5-hydroxypentyl 3-phenylprop-2-enoate (CID 71335867) is 5-hydroxypentyl 3-phenylprop-2-enoate.
What is the SMILES notation for 5-hydroxypentyl 3-phenylprop-2-enoate?
The canonical SMILES for 5-hydroxypentyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OCCCCCO.
What is the InChIKey of 5-hydroxypentyl 3-phenylprop-2-enoate?
The InChIKey is RXSKCHNCSFFPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-11-5-2-6-12-17-14(16)10-9-13-7-3-1-4-8-13/h1,3-4,7-10,15H,2,5-6,11-12H2.
What are the key properties of 5-hydroxypentyl 3-phenylprop-2-enoate?
5-hydroxypentyl 3-phenylprop-2-enoate has a molecular weight of 234.30 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl 3-phenylprop-2-enoate is sourced from PubChem (CID 71335867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).