(2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol

C20H22O3 — CID 23974829

IUPAC(2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol
SMILESOC/C=C\[C@H](O)CC/C(=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C20H22O3/c21-14-4-7-19(22)13-10-18(17-5-2-1-3-6-17)15-16-8-11-20(23)12-9-16/h1-9,11-12,15,19,21-23H,10,13-14H2/b7-4-,18-15-/t19-/m0/s1
InChIKeyXZSVZHRWFVFABQ-FEQXXZDUSA-N
MW310.39 g/mol
LogP3.62
Rot. Bonds7

About (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol

(2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol (PubChem CID 23974829) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol.

Molecular Properties

Compound Name(2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol
PubChem CID23974829
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol
SMILESOC/C=C\[C@H](O)CC/C(=C/c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C20H22O3/c21-14-4-7-19(22)13-10-18(17-5-2-1-3-6-17)15-16-8-11-20(23)12-9-16/h1-9,11-12,15,19,21-23H,10,13-14H2/b7-4-,18-15-/t19-/m0/s1
InChIKeyXZSVZHRWFVFABQ-FEQXXZDUSA-N
XLogP3.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol?
The IUPAC name of (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol (CID 23974829) is (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol.
What is the SMILES notation for (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol?
The canonical SMILES for (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol is OC/C=C\[C@H](O)CC/C(=C/c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol?
The InChIKey is XZSVZHRWFVFABQ-FEQXXZDUSA-N. The full InChI is InChI=1S/C20H22O3/c21-14-4-7-19(22)13-10-18(17-5-2-1-3-6-17)15-16-8-11-20(23)12-9-16/h1-9,11-12,15,19,21-23H,10,13-14H2/b7-4-,18-15-/t19-/m0/s1.
What are the key properties of (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol?
(2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol has a molecular weight of 310.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol is sourced from PubChem (CID 23974829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).