2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol

C16H16O2 — CID 6439521

IUPAC2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
SMILESCCc1c(O)cc(/C=C/c2ccccc2)cc1O
InChIInChI=1S/C16H16O2/c1-2-14-15(17)10-13(11-16(14)18)9-8-12-6-4-3-5-7-12/h3-11,17-18H,2H2,1H3/b9-8+
InChIKeyZJSCAZNZJKSFGX-CMDGGOBGSA-N
MW240.30 g/mol
LogP3.83
Rot. Bonds3

About 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol

2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol (PubChem CID 6439521) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
PubChem CID6439521
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
SMILESCCc1c(O)cc(/C=C/c2ccccc2)cc1O
InChIInChI=1S/C16H16O2/c1-2-14-15(17)10-13(11-16(14)18)9-8-12-6-4-3-5-7-12/h3-11,17-18H,2H2,1H3/b9-8+
InChIKeyZJSCAZNZJKSFGX-CMDGGOBGSA-N
XLogP3.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-phenylethenyl)-2-tetradecylbenzene-1,3-diol
CID 66842936
2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
CID 68629496
ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
CID 176681357
2-ethyl-5-(2-phenylethynyl)benzene-1,3-diol
CID 122603261
2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol
CID 74402961
4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 12564792
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
2,3-diethyl-5-phenylbenzene-1,4-diol
CID 23109186
3-decoxy-2-(3-methylbutyl)-5-[(E)-2-phenylethenyl]phenol
CID 150279149
5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
CID 71488581
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
2-chloro-5-(2-phenylethenyl)phenol
CID 174326276

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol?
The IUPAC name of 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol (CID 6439521) is 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol.
What is the SMILES notation for 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol?
The canonical SMILES for 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol is CCc1c(O)cc(/C=C/c2ccccc2)cc1O.
What is the InChIKey of 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol?
The InChIKey is ZJSCAZNZJKSFGX-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-14-15(17)10-13(11-16(14)18)9-8-12-6-4-3-5-7-12/h3-11,17-18H,2H2,1H3/b9-8+.
What are the key properties of 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol?
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol has a molecular weight of 240.30 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol is sourced from PubChem (CID 6439521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).