[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate

C16H14O3 — CID 97380584

IUPAC[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
SMILESO=C(OC/C=C\c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H14O3/c17-15-10-8-14(9-11-15)16(18)19-12-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2/b7-4-
InChIKeyABAMTWRWZMIEJZ-DAXSKMNVSA-N
MW254.29 g/mol
LogP3.26
Rot. Bonds4

About [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate

[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate (PubChem CID 97380584) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
PubChem CID97380584
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
SMILESO=C(OC/C=C\c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H14O3/c17-15-10-8-14(9-11-15)16(18)19-12-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2/b7-4-
InChIKeyABAMTWRWZMIEJZ-DAXSKMNVSA-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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Related Compounds

[(E)-3-phenylprop-2-enyl] 4-chlorobenzoate
CID 5372534
3-phenylprop-2-enyl 4-formylbenzoate
CID 163212040
3-phenylprop-2-enyl 3-hydroxybenzoate
CID 71953563
[(Z)-3-phenylprop-2-enyl] 6-oxo-1H-pyridine-3-carboxylate
CID 94144590
3-phenylprop-2-enyl 4-(1,3-dithiolan-2-yl)benzoate
CID 78535520
[(E)-3-phenylprop-2-enyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680002
3-phenylprop-2-enyl 3-bromobenzoate
CID 4616313
[(E)-3-phenylprop-2-enyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 8664651
[(E)-3-phenylprop-2-enyl] 1,3-benzodioxole-5-carboxylate
CID 8012668
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enyl benzoate
CID 54240947
(2Z)-2-[hydroxy-(4-hydroxyphenyl)methylidene]-5-phenylpent-4-enoic acid
CID 148547840

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate?
The IUPAC name of [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate (CID 97380584) is [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate.
What is the SMILES notation for [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate?
The canonical SMILES for [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate is O=C(OC/C=C\c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate?
The InChIKey is ABAMTWRWZMIEJZ-DAXSKMNVSA-N. The full InChI is InChI=1S/C16H14O3/c17-15-10-8-14(9-11-15)16(18)19-12-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2/b7-4-.
What are the key properties of [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate?
[(Z)-3-phenylprop-2-enyl] 4-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 [(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate is sourced from PubChem (CID 97380584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).