5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol

C17H18O2 — CID 6439522

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IUPAC5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O
InChIInChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
InChIKeyZISJNXNHJRQYJO-CMDGGOBGSA-N
MW254.33 g/mol
LogP4.39
Rot. Bonds3

About 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol

5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol (PubChem CID 6439522) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
PubChem CID6439522
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O
InChIInChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
InChIKeyZISJNXNHJRQYJO-CMDGGOBGSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol (CID 6439522) is 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol is CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol?
The InChIKey is ZISJNXNHJRQYJO-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+.
What are the key properties of 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol?
5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol has a molecular weight of 254.33 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 6439522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).