3-phenylprop-2-enyl 3-hydroxybenzoate

C16H14O3 — CID 71953563

IUPAC3-phenylprop-2-enyl 3-hydroxybenzoate
SMILESO=C(OCC=Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H14O3/c17-15-10-4-9-14(12-15)16(18)19-11-5-8-13-6-2-1-3-7-13/h1-10,12,17H,11H2
InChIKeyFTSFCLJOTCJMNK-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.26
Rot. Bonds4

About 3-phenylprop-2-enyl 3-hydroxybenzoate

3-phenylprop-2-enyl 3-hydroxybenzoate (PubChem CID 71953563) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-phenylprop-2-enyl 3-hydroxybenzoate.

Molecular Properties

Compound Name3-phenylprop-2-enyl 3-hydroxybenzoate
PubChem CID71953563
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name3-phenylprop-2-enyl 3-hydroxybenzoate
SMILESO=C(OCC=Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H14O3/c17-15-10-4-9-14(12-15)16(18)19-11-5-8-13-6-2-1-3-7-13/h1-10,12,17H,11H2
InChIKeyFTSFCLJOTCJMNK-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl 3-hydroxybenzoate?
The IUPAC name of 3-phenylprop-2-enyl 3-hydroxybenzoate (CID 71953563) is 3-phenylprop-2-enyl 3-hydroxybenzoate.
What is the SMILES notation for 3-phenylprop-2-enyl 3-hydroxybenzoate?
The canonical SMILES for 3-phenylprop-2-enyl 3-hydroxybenzoate is O=C(OCC=Cc1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-phenylprop-2-enyl 3-hydroxybenzoate?
The InChIKey is FTSFCLJOTCJMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-15-10-4-9-14(12-15)16(18)19-11-5-8-13-6-2-1-3-7-13/h1-10,12,17H,11H2.
What are the key properties of 3-phenylprop-2-enyl 3-hydroxybenzoate?
3-phenylprop-2-enyl 3-hydroxybenzoate has a molecular weight of 254.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enyl 3-hydroxybenzoate is sourced from PubChem (CID 71953563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).