4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol

C18H18O3 — CID 57222494

IUPAC4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
SMILESOc1ccc(C=CCOCC=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O3/c19-17-9-5-15(6-10-17)3-1-13-21-14-2-4-16-7-11-18(20)12-8-16/h1-12,19-20H,13-14H2
InChIKeyUCUZKBFZCUFIOB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.84
Rot. Bonds6

About 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol

4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol (PubChem CID 57222494) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol.

Molecular Properties

Compound Name4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
PubChem CID57222494
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol
SMILESOc1ccc(C=CCOCC=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O3/c19-17-9-5-15(6-10-17)3-1-13-21-14-2-4-16-7-11-18(20)12-8-16/h1-12,19-20H,13-14H2
InChIKeyUCUZKBFZCUFIOB-UHFFFAOYSA-N
XLogP3.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]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-(3-hydroperoxyprop-1-enyl)phenol
CID 54378687
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 175297544
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[(E)-pent-1-enyl]phenol
CID 15576502
[(Z)-3-phenylprop-2-enyl] 4-hydroxybenzoate
CID 97380584
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] hexacosanoate
CID 141473450
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
(E)-5-(4-hydroxyphenyl)pent-4-enenitrile
CID 131246029
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
5-(4-hydroxyphenyl)pent-4-enoic acid
CID 67881983
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol?
The IUPAC name of 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol (CID 57222494) is 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol.
What is the SMILES notation for 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol?
The canonical SMILES for 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol is Oc1ccc(C=CCOCC=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol?
The InChIKey is UCUZKBFZCUFIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-17-9-5-15(6-10-17)3-1-13-21-14-2-4-16-7-11-18(20)12-8-16/h1-12,19-20H,13-14H2.
What are the key properties of 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol?
4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol has a molecular weight of 282.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-hydroxyphenyl)prop-2-enoxy]prop-1-enyl]phenol is sourced from PubChem (CID 57222494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).