3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol

C18H20O2 — CID 3036170

IUPAC3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol
SMILESCC/C(=C(/CC)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C18H20O2/c1-3-17(13-7-5-9-15(19)11-13)18(4-2)14-8-6-10-16(20)12-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKeySVUHJMMOTKIXMR-ISLYRVAYSA-N
MW268.36 g/mol
LogP4.83
Rot. Bonds4

About 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol

3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol (PubChem CID 3036170) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol.

Molecular Properties

Compound Name3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol
PubChem CID3036170
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol
SMILESCC/C(=C(/CC)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C18H20O2/c1-3-17(13-7-5-9-15(19)11-13)18(4-2)14-8-6-10-16(20)12-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKeySVUHJMMOTKIXMR-ISLYRVAYSA-N
XLogP4.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.83
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 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol?
The IUPAC name of 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol (CID 3036170) is 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol.
What is the SMILES notation for 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol?
The canonical SMILES for 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol is CC/C(=C(/CC)c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol?
The InChIKey is SVUHJMMOTKIXMR-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-17(13-7-5-9-15(19)11-13)18(4-2)14-8-6-10-16(20)12-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+.
What are the key properties of 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol?
3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-(3-hydroxyphenyl)hex-3-en-3-yl]phenol is sourced from PubChem (CID 3036170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).