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

C18H21ClO2 — CID 172690267

IUPAC4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride
SMILESCC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1.Cl
InChIInChI=1S/C18H20O2.ClH/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;1H/b18-17+;
InChIKeyBOUKAUQVSCEMEU-ZAGWXBKKSA-N
MW304.82 g/mol
LogP5.25
Rot. Bonds4

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

4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride (PubChem CID 172690267) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride
PubChem CID172690267
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride
SMILESCC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1.Cl
InChIInChI=1S/C18H20O2.ClH/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;1H/b18-17+;
InChIKeyBOUKAUQVSCEMEU-ZAGWXBKKSA-N
XLogP5.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.25
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

acetic acid;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 172835225
4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 134349907
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;sulfonato sulfate
CID 131743917
[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenyl] acetate
CID 71316043
4-[4-(4-dodecoxyphenyl)hex-3-en-3-yl]phenol
CID 72958463
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
(E)-12,13-bis(4-hydroxyphenyl)-N-methylpentadec-12-enamide
CID 23364312
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride?
The IUPAC name of 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride (CID 172690267) is 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride.
What is the SMILES notation for 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride?
The canonical SMILES for 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride is CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1.Cl.
What is the InChIKey of 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride?
The InChIKey is BOUKAUQVSCEMEU-ZAGWXBKKSA-N. The full InChI is InChI=1S/C18H20O2.ClH/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;1H/b18-17+;.
What are the key properties of 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride?
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride is sourced from PubChem (CID 172690267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).