1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol

C22H17BrO2 — CID 11610867

IUPAC1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(CBr)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C22H17BrO2/c23-13-14-1-3-16(4-2-14)22-20-10-9-19(25)11-17(20)12-21(22)15-5-7-18(24)8-6-15/h1-11,24-25H,12-13H2
InChIKeyDSVUWLXFXMLTDM-UHFFFAOYSA-N
MW393.28 g/mol
LogP5.51
Rot. Bonds3

About 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol

1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol (PubChem CID 11610867) has the molecular formula C22H17BrO2 and a molecular weight of 393.28 g/mol. Its IUPAC name is 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol.

Molecular Properties

Compound Name1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol
PubChem CID11610867
Molecular FormulaC22H17BrO2
Molecular Weight393.28 g/mol
Exact Mass392.04
IUPAC Name1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(CBr)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C22H17BrO2/c23-13-14-1-3-16(4-2-14)22-20-10-9-19(25)11-17(20)12-21(22)15-5-7-18(24)8-6-15/h1-11,24-25H,12-13H2
InChIKeyDSVUWLXFXMLTDM-UHFFFAOYSA-N
XLogP5.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bisphenol P
CID 630355
4,5-Dibenzyl-1,2-benzenediol
CID 379493
2-(Bis(4-hydroxyphenyl)methyl)benzenemethanol
CID 66495
6-(4-Hydroxyphenyl)-2-naphthol
CID 11459006
2,7-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1-methyl-
CID 100801
4,4',4''-Methylidynetrisphenol
CID 69047
4,4'-(2-Phenylethene-1,1-diyl)diphenol
CID 3017674
2-(3-hydroxyphenyl)-1,2''-spirobi[1H-indene]-5-ol
CID 9901869
2-(4-hydroxyphenyl)-1,2''-spirobi[1H-indene]-5-ol
CID 9945207
6-Phenylnaphthalen-2-ol
CID 10125182
2-(3-hydroxyphenyl)-1,2''-spirobi[1H-indene]-6-ol
CID 10131379
7-(4-Hydroxyphenyl)-2-naphthol
CID 10171409

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The IUPAC name of 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol (CID 11610867) is 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol.
What is the SMILES notation for 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The canonical SMILES for 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol is Oc1ccc(C2=C(c3ccc(CBr)cc3)c3ccc(O)cc3C2)cc1.
What is the InChIKey of 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The InChIKey is DSVUWLXFXMLTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrO2/c23-13-14-1-3-16(4-2-14)22-20-10-9-19(25)11-17(20)12-21(22)15-5-7-18(24)8-6-15/h1-11,24-25H,12-13H2.
What are the key properties of 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol?
1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol has a molecular weight of 393.28 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)phenyl]-2-(4-hydroxyphenyl)-3H-inden-5-ol is sourced from PubChem (CID 11610867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).