3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol

C17H16O — CID 138974354

IUPAC3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol
SMILESOc1cccc(/C=C/C2Cc3ccccc3C2)c1
InChIInChI=1S/C17H16O/c18-17-7-3-4-13(12-17)8-9-14-10-15-5-1-2-6-16(15)11-14/h1-9,12,14,18H,10-11H2/b9-8+
InChIKeyKUPQGBJAZDWJPK-CMDGGOBGSA-N
MW236.31 g/mol
LogP3.82
Rot. Bonds2

About 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol

3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol (PubChem CID 138974354) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol
PubChem CID138974354
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol
SMILESOc1cccc(/C=C/C2Cc3ccccc3C2)c1
InChIInChI=1S/C17H16O/c18-17-7-3-4-13(12-17)8-9-14-10-15-5-1-2-6-16(15)11-14/h1-9,12,14,18H,10-11H2/b9-8+
InChIKeyKUPQGBJAZDWJPK-CMDGGOBGSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol?
The IUPAC name of 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol (CID 138974354) is 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol is Oc1cccc(/C=C/C2Cc3ccccc3C2)c1.
What is the InChIKey of 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol?
The InChIKey is KUPQGBJAZDWJPK-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H16O/c18-17-7-3-4-13(12-17)8-9-14-10-15-5-1-2-6-16(15)11-14/h1-9,12,14,18H,10-11H2/b9-8+.
What are the key properties of 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol?
3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol is sourced from PubChem (CID 138974354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).