3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol

C17H17NO — CID 22770542

IUPAC3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol
SMILESOc1cccc(/C=C/CN2Cc3ccccc3C2)c1
InChIInChI=1S/C17H17NO/c19-17-9-3-5-14(11-17)6-4-10-18-12-15-7-1-2-8-16(15)13-18/h1-9,11,19H,10,12-13H2/b6-4+
InChIKeyLCWIXWMZVLHYKA-GQCTYLIASA-N
MW251.33 g/mol
LogP3.42
Rot. Bonds3

About 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol

3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol (PubChem CID 22770542) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol.

Molecular Properties

Compound Name3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol
PubChem CID22770542
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol
SMILESOc1cccc(/C=C/CN2Cc3ccccc3C2)c1
InChIInChI=1S/C17H17NO/c19-17-9-3-5-14(11-17)6-4-10-18-12-15-7-1-2-8-16(15)13-18/h1-9,11,19H,10,12-13H2/b6-4+
InChIKeyLCWIXWMZVLHYKA-GQCTYLIASA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
CID 4021995
3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol
CID 138974354
3-[(E)-2-chloroethenyl]phenol
CID 131239528
3-[(E)-2-bromoethenyl]phenol
CID 74892827
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
3-[(E)-hex-1-enyl]phenol
CID 121007177
2-[(E)-but-2-enyl]-1,3-dihydroisoindole
CID 131234693
2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride
CID 22770534
[4-[(Z)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-enyl]-2-methoxyphenyl] acetate
CID 74224118
4-[2-(3-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 54100227
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 782278

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol?
The IUPAC name of 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol (CID 22770542) is 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol.
What is the SMILES notation for 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol?
The canonical SMILES for 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol is Oc1cccc(/C=C/CN2Cc3ccccc3C2)c1.
What is the InChIKey of 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol?
The InChIKey is LCWIXWMZVLHYKA-GQCTYLIASA-N. The full InChI is InChI=1S/C17H17NO/c19-17-9-3-5-14(11-17)6-4-10-18-12-15-7-1-2-8-16(15)13-18/h1-9,11,19H,10,12-13H2/b6-4+.
What are the key properties of 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol?
3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol has a molecular weight of 251.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(1,3-dihydroisoindol-2-yl)prop-1-enyl]phenol is sourced from PubChem (CID 22770542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).