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

C21H30O2 — CID 176681357

IUPACethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC.CC.CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O
InChIInChI=1S/C17H18O2.2C2H6/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13;2*1-2/h3-12,18-19H,1-2H3;2*1-2H3/b9-8+;;
InChIKeyMAOKPLZKVICIQV-YEUQMBKVSA-N
MW314.47 g/mol
LogP6.44
Rot. Bonds3

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

ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol (PubChem CID 176681357) has the molecular formula C21H30O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Nameethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
PubChem CID176681357
Molecular FormulaC21H30O2
Molecular Weight314.47 g/mol
Exact Mass314.22
IUPAC Nameethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC.CC.CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O
InChIInChI=1S/C17H18O2.2C2H6/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13;2*1-2/h3-12,18-19H,1-2H3;2*1-2H3/b9-8+;;
InChIKeyMAOKPLZKVICIQV-YEUQMBKVSA-N
XLogP6.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.44
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 ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol?
The IUPAC name of ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol (CID 176681357) is ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol is CC.CC.CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O.
What is the InChIKey of ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol?
The InChIKey is MAOKPLZKVICIQV-YEUQMBKVSA-N. The full InChI is InChI=1S/C17H18O2.2C2H6/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13;2*1-2/h3-12,18-19H,1-2H3;2*1-2H3/b9-8+;;.
What are the key properties of ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol?
ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol has a molecular weight of 314.47 g/mol, XLogP of 6.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 176681357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).