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

C18H20O2 — CID 3054

IUPAC4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
SMILESCCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3
InChIKeyRGLYKWWBQGJZGM-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.83
Rot. Bonds4

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

4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (PubChem CID 3054) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
PubChem CID3054
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
SMILESCCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3
InChIKeyRGLYKWWBQGJZGM-UHFFFAOYSA-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 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (CID 3054) is 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol is CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol?
The InChIKey is RGLYKWWBQGJZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol?
4-[4-(4-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 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol is sourced from PubChem (CID 3054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).