4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

C36H38O4 — CID 134349907

IUPAC4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
SMILESC/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1.CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O2.C18H18O2/c2*1-3-17(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;3-12,19-20H,1-2H3/b18-17+;17-3+,18-4+
InChIKeyQKTNCFIHWJKOLH-IJGCXSPQSA-N
MW534.70 g/mol
LogP9.43
Rot. Bonds7

About 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (PubChem CID 134349907) has the molecular formula C36H38O4 and a molecular weight of 534.70 g/mol. Its IUPAC name is 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol.

Molecular Properties

Compound Name4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
PubChem CID134349907
Molecular FormulaC36H38O4
Molecular Weight534.70 g/mol
Exact Mass534.28
IUPAC Name4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
SMILESC/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1.CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O2.C18H18O2/c2*1-3-17(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;3-12,19-20H,1-2H3/b18-17+;17-3+,18-4+
InChIKeyQKTNCFIHWJKOLH-IJGCXSPQSA-N
XLogP9.43
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 59.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride
CID 172690267
acetic acid;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 172835225
4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol
CID 59197895
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
(E)-12,13-bis(4-hydroxyphenyl)-N-methylpentadec-12-enamide
CID 23364312
3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde
CID 85417491
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
ethene;4-[(3Z)-3-phenylnona-3,8-dien-4-yl]phenol
CID 142984897
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol?
The IUPAC name of 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) is 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol.
What is the SMILES notation for 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol?
The canonical SMILES for 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol is C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1.CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol?
The InChIKey is QKTNCFIHWJKOLH-IJGCXSPQSA-N. The full InChI is InChI=1S/C18H20O2.C18H18O2/c2*1-3-17(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;3-12,19-20H,1-2H3/b18-17+;17-3+,18-4+.
What are the key properties of 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol?
4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol has a molecular weight of 534.70 g/mol, XLogP of 9.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol is sourced from PubChem (CID 134349907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).