4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol

C15H14O2 — CID 11447476

IUPAC4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol
SMILESC=C[C@@H](c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H14O2/c1-2-13(11-6-4-3-5-7-11)14-9-8-12(16)10-15(14)17/h2-10,13,16-17H,1H2/t13-/m0/s1
InChIKeyUNABYKBYLJJXQE-ZDUSSCGKSA-N
MW226.28 g/mol
LogP3.42
Rot. Bonds3

About 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol

4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol (PubChem CID 11447476) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol
PubChem CID11447476
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol
SMILESC=C[C@@H](c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H14O2/c1-2-13(11-6-4-3-5-7-11)14-9-8-12(16)10-15(14)17/h2-10,13,16-17H,1H2/t13-/m0/s1
InChIKeyUNABYKBYLJJXQE-ZDUSSCGKSA-N
XLogP3.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol?
The IUPAC name of 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol (CID 11447476) is 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol?
The canonical SMILES for 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol is C=C[C@@H](c1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol?
The InChIKey is UNABYKBYLJJXQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-13(11-6-4-3-5-7-11)14-9-8-12(16)10-15(14)17/h2-10,13,16-17H,1H2/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol?
4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol has a molecular weight of 226.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-phenylprop-2-enyl]benzene-1,3-diol is sourced from PubChem (CID 11447476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).