5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol

C16H16O3 — CID 101451865

IUPAC5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(/C=C/c2cc(O)c(C)c(O)c2)ccc1O
InChIInChI=1S/C16H16O3/c1-10-7-12(5-6-14(10)17)3-4-13-8-15(18)11(2)16(19)9-13/h3-9,17-19H,1-2H3/b4-3+
InChIKeyZORPFFXHDDTNHD-ONEGZZNKSA-N
MW256.30 g/mol
LogP3.59
Rot. Bonds2

About 5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol

5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol (PubChem CID 101451865) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol
PubChem CID101451865
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(/C=C/c2cc(O)c(C)c(O)c2)ccc1O
InChIInChI=1S/C16H16O3/c1-10-7-12(5-6-14(10)17)3-4-13-8-15(18)11(2)16(19)9-13/h3-9,17-19H,1-2H3/b4-3+
InChIKeyZORPFFXHDDTNHD-ONEGZZNKSA-N
XLogP3.59
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol (CID 101451865) is 5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol is Cc1cc(/C=C/c2cc(O)c(C)c(O)c2)ccc1O.
What is the InChIKey of 5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol?
The InChIKey is ZORPFFXHDDTNHD-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-7-12(5-6-14(10)17)3-4-13-8-15(18)11(2)16(19)9-13/h3-9,17-19H,1-2H3/b4-3+.
What are the key properties of 5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol?
5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol has a molecular weight of 256.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol is sourced from PubChem (CID 101451865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).