2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol

C22H20O3 — CID 73316036

IUPAC2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
SMILESCOc1cc(O)c(Cc2ccc(O)cc2)c(C=Cc2ccccc2)c1
InChIInChI=1S/C22H20O3/c1-25-20-14-18(10-7-16-5-3-2-4-6-16)21(22(24)15-20)13-17-8-11-19(23)12-9-17/h2-12,14-15,23-24H,13H2,1H3
InChIKeyNXGAFUCUPABQGK-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.87
Rot. Bonds5

About 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol

2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol (PubChem CID 73316036) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
PubChem CID73316036
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
SMILESCOc1cc(O)c(Cc2ccc(O)cc2)c(C=Cc2ccccc2)c1
InChIInChI=1S/C22H20O3/c1-25-20-14-18(10-7-16-5-3-2-4-6-16)21(22(24)15-20)13-17-8-11-19(23)12-9-17/h2-12,14-15,23-24H,13H2,1H3
InChIKeyNXGAFUCUPABQGK-UHFFFAOYSA-N
XLogP4.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)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

methyl 2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoate
CID 71626584
1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene
CID 175647423
3-[2-(3-hydroxyphenyl)ethenyl]-2-[(4-hydroxyphenyl)methyl]-5-methoxybenzene-1,4-diol
CID 91046809
1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene
CID 175647412
3-[(E)-2-(2-hydroxyphenyl)ethenyl]-5-methoxyphenol
CID 102318988
2-(methoxymethyl)-1,3,5-tris(2-phenylethenyl)benzene
CID 67275352
4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
CID 162879563
4-(2-phenylethenyl)phenol
CID 157400568
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
4-[(E)-2-[3-(hydroxymethyl)-5-methoxyphenyl]ethenyl]benzene-1,3-diol
CID 176845664
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol (CID 73316036) is 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol is COc1cc(O)c(Cc2ccc(O)cc2)c(C=Cc2ccccc2)c1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol?
The InChIKey is NXGAFUCUPABQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-25-20-14-18(10-7-16-5-3-2-4-6-16)21(22(24)15-20)13-17-8-11-19(23)12-9-17/h2-12,14-15,23-24H,13H2,1H3.
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol?
2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol has a molecular weight of 332.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol is sourced from PubChem (CID 73316036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).