4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol

C22H17BrO2 — CID 123133749

IUPAC4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2CCc3cc(Br)ccc32)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H17BrO2/c23-17-6-12-20-16(13-17)5-11-21(20)22(14-1-7-18(24)8-2-14)15-3-9-19(25)10-4-15/h1-4,6-10,12-13,24-25H,5,11H2
InChIKeyVHFWLOXCPAFWPR-UHFFFAOYSA-N
MW393.28 g/mol
LogP5.77
Rot. Bonds2

About 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol

4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol (PubChem CID 123133749) has the molecular formula C22H17BrO2 and a molecular weight of 393.28 g/mol. Its IUPAC name is 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol
PubChem CID123133749
Molecular FormulaC22H17BrO2
Molecular Weight393.28 g/mol
Exact Mass392.04
IUPAC Name4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(=C2CCc3cc(Br)ccc32)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H17BrO2/c23-17-6-12-20-16(13-17)5-11-21(20)22(14-1-7-18(24)8-2-14)15-3-9-19(25)10-4-15/h1-4,6-10,12-13,24-25H,5,11H2
InChIKeyVHFWLOXCPAFWPR-UHFFFAOYSA-N
XLogP5.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]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

(Trans,trans)-1-bromo-2,5-bis(4-hydroxystyryl)benzene
CID 44828481
4-Bromo-4'-hydroxybiphenyl
CID 95093
Phenol, 4,4'-(9H-fluoren-9-ylidene)bis[2,6-dibromo-
CID 15500374
4-[2-(4-Bromophenyl)-1-(4-hydroxyphenyl)ethenyl]phenol
CID 14065280
1-(4-Bromomethyl-phenyl)-2-(4-hydroxy-phenyl)-3H-inden-5-ol
CID 11610867
3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-dibromo-6,6'-diol
CID 478341
7-Bromo-9H-fluoren-2-ol
CID 263582
2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol
CID 14146267
2-Bromo-4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol
CID 44264112
4-[2-[3-Bromo-4-[2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol
CID 71367729
4-Bromo-4',4''-dihydroxyltriphenylmethane
CID 13013457
4-[2-Bromo-1-(4-hydroxyphenyl)-2-phenyl-vinyl]phenol
CID 384600

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol (CID 123133749) is 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol is Oc1ccc(C(=C2CCc3cc(Br)ccc32)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is VHFWLOXCPAFWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrO2/c23-17-6-12-20-16(13-17)5-11-21(20)22(14-1-7-18(24)8-2-14)15-3-9-19(25)10-4-15/h1-4,6-10,12-13,24-25H,5,11H2.
What are the key properties of 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol?
4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 393.28 g/mol, XLogP of 5.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 123133749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).