[3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol

C14H15NO — CID 173153932

IUPAC[3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol
SMILESOCc1cccc(/C=C/Cn2cccc2)c1
InChIInChI=1S/C14H15NO/c16-12-14-6-3-5-13(11-14)7-4-10-15-8-1-2-9-15/h1-9,11,16H,10,12H2/b7-4+
InChIKeyXNHOCBDTEYQONN-QPJJXVBHSA-N
MW213.28 g/mol
LogP2.69
Rot. Bonds4

About [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol

[3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol (PubChem CID 173153932) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol
PubChem CID173153932
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name[3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol
SMILESOCc1cccc(/C=C/Cn2cccc2)c1
InChIInChI=1S/C14H15NO/c16-12-14-6-3-5-13(11-14)7-4-10-15-8-1-2-9-15/h1-9,11,16H,10,12H2/b7-4+
InChIKeyXNHOCBDTEYQONN-QPJJXVBHSA-N
XLogP2.69
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol?
The IUPAC name of [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol (CID 173153932) is [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol.
What is the SMILES notation for [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol?
The canonical SMILES for [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol is OCc1cccc(/C=C/Cn2cccc2)c1.
What is the InChIKey of [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol?
The InChIKey is XNHOCBDTEYQONN-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H15NO/c16-12-14-6-3-5-13(11-14)7-4-10-15-8-1-2-9-15/h1-9,11,16H,10,12H2/b7-4+.
What are the key properties of [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol?
[3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol has a molecular weight of 213.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol is sourced from PubChem (CID 173153932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).