(2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol

C23H25BrO4 — CID 23889816

IUPAC(2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol
SMILESC=C(CO)/C(=C/CO)C(O)CC/C(=C/c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C23H25BrO4/c1-16(15-26)21(11-12-25)23(28)9-7-18(17-5-3-2-4-6-17)13-19-14-20(24)8-10-22(19)27/h2-6,8,10-11,13-14,23,25-28H,1,7,9,12,15H2/b18-13-,21-11-
InChIKeyZMUMEBPYLPPOFY-GWRIMKFOSA-N
MW445.35 g/mol
LogP4.30
Rot. Bonds9

About (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol

(2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol (PubChem CID 23889816) has the molecular formula C23H25BrO4 and a molecular weight of 445.35 g/mol. Its IUPAC name is (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol.

Molecular Properties

Compound Name(2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol
PubChem CID23889816
Molecular FormulaC23H25BrO4
Molecular Weight445.35 g/mol
Exact Mass444.09
IUPAC Name(2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol
SMILESC=C(CO)/C(=C/CO)C(O)CC/C(=C/c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C23H25BrO4/c1-16(15-26)21(11-12-25)23(28)9-7-18(17-5-3-2-4-6-17)13-19-14-20(24)8-10-22(19)27/h2-6,8,10-11,13-14,23,25-28H,1,7,9,12,15H2/b18-13-,21-11-
InChIKeyZMUMEBPYLPPOFY-GWRIMKFOSA-N
XLogP4.30
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.30
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 (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-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,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol?
The IUPAC name of (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol (CID 23889816) is (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol.
What is the SMILES notation for (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol?
The canonical SMILES for (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol is C=C(CO)/C(=C/CO)C(O)CC/C(=C/c1cc(Br)ccc1O)c1ccccc1.
What is the InChIKey of (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol?
The InChIKey is ZMUMEBPYLPPOFY-GWRIMKFOSA-N. The full InChI is InChI=1S/C23H25BrO4/c1-16(15-26)21(11-12-25)23(28)9-7-18(17-5-3-2-4-6-17)13-19-14-20(24)8-10-22(19)27/h2-6,8,10-11,13-14,23,25-28H,1,7,9,12,15H2/b18-13-,21-11-.
What are the key properties of (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol?
(2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol has a molecular weight of 445.35 g/mol, XLogP of 4.30, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7Z)-8-(5-bromo-2-hydroxyphenyl)-3-(3-hydroxyprop-1-en-2-yl)-7-phenylocta-2,7-diene-1,4-diol is sourced from PubChem (CID 23889816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).