3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol

C17H18O2 — CID 59639128

IUPAC3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
SMILESCc1cc(O)c(C/C=C/c2ccccc2)c(C)c1O
InChIInChI=1S/C17H18O2/c1-12-11-16(18)15(13(2)17(12)19)10-6-9-14-7-4-3-5-8-14/h3-9,11,18-19H,10H2,1-2H3/b9-6+
InChIKeyFISFUNZISWKKQZ-RMKNXTFCSA-N
MW254.33 g/mol
LogP3.97
Rot. Bonds3

About 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol

3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol (PubChem CID 59639128) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol.

Molecular Properties

Compound Name3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
PubChem CID59639128
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
SMILESCc1cc(O)c(C/C=C/c2ccccc2)c(C)c1O
InChIInChI=1S/C17H18O2/c1-12-11-16(18)15(13(2)17(12)19)10-6-9-14-7-4-3-5-8-14/h3-9,11,18-19H,10H2,1-2H3/b9-6+
InChIKeyFISFUNZISWKKQZ-RMKNXTFCSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol?
The IUPAC name of 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol (CID 59639128) is 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol.
What is the SMILES notation for 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol?
The canonical SMILES for 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol is Cc1cc(O)c(C/C=C/c2ccccc2)c(C)c1O.
What is the InChIKey of 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol?
The InChIKey is FISFUNZISWKKQZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-11-16(18)15(13(2)17(12)19)10-6-9-14-7-4-3-5-8-14/h3-9,11,18-19H,10H2,1-2H3/b9-6+.
What are the key properties of 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol?
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol has a molecular weight of 254.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol is sourced from PubChem (CID 59639128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).