4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol

C27H22O3 — CID 175920876

IUPAC4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
SMILESOCc1ccc(C(=C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H22O3/c28-18-19-6-8-21(9-7-19)26(20-4-2-1-3-5-20)27(22-10-14-24(29)15-11-22)23-12-16-25(30)17-13-23/h1-17,28-30H,18H2
InChIKeyQGUBJAHYBSDSKJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.60
Rot. Bonds5

About 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol

4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol (PubChem CID 175920876) has the molecular formula C27H22O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
PubChem CID175920876
Molecular FormulaC27H22O3
Molecular Weight394.47 g/mol
Exact Mass394.16
IUPAC Name4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
SMILESOCc1ccc(C(=C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H22O3/c28-18-19-6-8-21(9-7-19)26(20-4-2-1-3-5-20)27(22-10-14-24(29)15-11-22)23-12-16-25(30)17-13-23/h1-17,28-30H,18H2
InChIKeyQGUBJAHYBSDSKJ-UHFFFAOYSA-N
XLogP5.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-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

4-[(E)-2-(4-hydroxyphenyl)-1,2-diphenylethenyl]phenol;methane;[4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]phenyl]methanol
CID 158056261
4-(hydroxymethyl)phenol;phenol
CID 141229785
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981
4-(hydroxymethyl)phenol;hydrate
CID 141133894
phenol;1,2,2-triphenylethenylbenzene
CID 159416986
4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
CID 141454768
4-aminophenol;phenylmethanol
CID 174233952
1-(bromomethyl)-4-(1,2,2-triphenylethenyl)benzene;ethane
CID 144540083
O-[[4-(hydroxymethyl)phenyl]methyl] benzenecarbothioate
CID 18930839
phenylmethanol;zirconium
CID 18688174
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol?
The IUPAC name of 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol (CID 175920876) is 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol.
What is the SMILES notation for 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol?
The canonical SMILES for 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol is OCc1ccc(C(=C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol?
The InChIKey is QGUBJAHYBSDSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O3/c28-18-19-6-8-21(9-7-19)26(20-4-2-1-3-5-20)27(22-10-14-24(29)15-11-22)23-12-16-25(30)17-13-23/h1-17,28-30H,18H2.
What are the key properties of 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol?
4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol has a molecular weight of 394.47 g/mol, XLogP of 5.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol is sourced from PubChem (CID 175920876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).