[1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol

C18H17NO — CID 102912656

IUPAC[1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2C/C=C/c2ccccc2)c1
InChIInChI=1S/C18H17NO/c20-14-16-8-9-18-17(13-16)10-12-19(18)11-4-7-15-5-2-1-3-6-15/h1-10,12-13,20H,11,14H2/b7-4+
InChIKeyPIXMNIWGGZXLGG-QPJJXVBHSA-N
MW263.34 g/mol
LogP3.85
Rot. Bonds4

About [1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol

[1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol (PubChem CID 102912656) 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-5-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol
PubChem CID102912656
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name[1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2C/C=C/c2ccccc2)c1
InChIInChI=1S/C18H17NO/c20-14-16-8-9-18-17(13-16)10-12-19(18)11-4-7-15-5-2-1-3-6-15/h1-10,12-13,20H,11,14H2/b7-4+
InChIKeyPIXMNIWGGZXLGG-QPJJXVBHSA-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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Related Compounds

[1-[(E)-but-2-enyl]indol-5-yl]methanol
CID 102912660
1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde
CID 102910664
[1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol
CID 10801507
(1-butylindol-5-yl)methanol
CID 102912394
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
[1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol
CID 102912903
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
[3-[(E)-3-pyrrol-1-ylprop-1-enyl]phenyl]methanol
CID 173153932
[1-(cyclobutylmethyl)indol-5-yl]methanol
CID 117118884
1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
CID 135062929

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol?
The IUPAC name of [1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol (CID 102912656) is [1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol is OCc1ccc2c(ccn2C/C=C/c2ccccc2)c1.
What is the InChIKey of [1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol?
The InChIKey is PIXMNIWGGZXLGG-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H17NO/c20-14-16-8-9-18-17(13-16)10-12-19(18)11-4-7-15-5-2-1-3-6-15/h1-10,12-13,20H,11,14H2/b7-4+.
What are the key properties of [1-[(E)-3-phenylprop-2-enyl]indol-5-yl]methanol?
[1-[(E)-3-phenylprop-2-enyl]indol-5-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-5-yl]methanol is sourced from PubChem (CID 102912656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).