[1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol

C18H17NO — CID 10801507

IUPAC[1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol
SMILESOCc1cc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C18H17NO/c20-14-17-13-16-10-4-5-11-18(16)19(17)12-6-9-15-7-2-1-3-8-15/h1-11,13,20H,12,14H2/b9-6+
InChIKeyJEMWXNKZDVDYBA-RMKNXTFCSA-N
MW263.34 g/mol
LogP3.85
Rot. Bonds4

About [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol

[1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol (PubChem CID 10801507) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol
PubChem CID10801507
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name[1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol
SMILESOCc1cc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C18H17NO/c20-14-17-13-16-10-4-5-11-18(16)19(17)12-6-9-15-7-2-1-3-8-15/h1-11,13,20H,12,14H2/b9-6+
InChIKeyJEMWXNKZDVDYBA-RMKNXTFCSA-N
XLogP3.85
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol?
The IUPAC name of [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol (CID 10801507) is [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol.
What is the SMILES notation for [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol?
The canonical SMILES for [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol is OCc1cc2ccccc2n1C/C=C/c1ccccc1.
What is the InChIKey of [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol?
The InChIKey is JEMWXNKZDVDYBA-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H17NO/c20-14-17-13-16-10-4-5-11-18(16)19(17)12-6-9-15-7-2-1-3-8-15/h1-11,13,20H,12,14H2/b9-6+.
What are the key properties of [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol?
[1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol has a molecular weight of 263.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol is sourced from PubChem (CID 10801507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).