3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one

C18H14O3 — CID 46906183

IUPAC3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one
SMILESC/C(=C\c1ccccc1)c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C18H14O3/c1-12(11-13-7-3-2-4-8-13)18-17(20)16(19)14-9-5-6-10-15(14)21-18/h2-11,20H,1H3/b12-11+
InChIKeyRHPJMLBAVRGZCA-VAWYXSNFSA-N
MW278.31 g/mol
LogP4.06
Rot. Bonds2

About 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one

3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one (PubChem CID 46906183) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one
PubChem CID46906183
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one
SMILESC/C(=C\c1ccccc1)c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C18H14O3/c1-12(11-13-7-3-2-4-8-13)18-17(20)16(19)14-9-5-6-10-15(14)21-18/h2-11,20H,1H3/b12-11+
InChIKeyRHPJMLBAVRGZCA-VAWYXSNFSA-N
XLogP4.06
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one?
The IUPAC name of 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one (CID 46906183) is 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one?
The canonical SMILES for 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one is C/C(=C\c1ccccc1)c1oc2ccccc2c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one?
The InChIKey is RHPJMLBAVRGZCA-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H14O3/c1-12(11-13-7-3-2-4-8-13)18-17(20)16(19)14-9-5-6-10-15(14)21-18/h2-11,20H,1H3/b12-11+.
What are the key properties of 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one?
3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one has a molecular weight of 278.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(E)-1-phenylprop-1-en-2-yl]chromen-4-one is sourced from PubChem (CID 46906183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).