2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol

C22H18O2 — CID 11716633

IUPAC2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol
SMILESCc1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C22H18O2/c1-14-2-4-16(5-3-14)22-20-11-10-19(24)12-17(20)13-21(22)15-6-8-18(23)9-7-15/h2-12,23-24H,13H2,1H3
InChIKeyYIFNILRPNDYIBP-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.92
Rot. Bonds2

About 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol

2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol (PubChem CID 11716633) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol
PubChem CID11716633
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol
SMILESCc1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1
InChIInChI=1S/C22H18O2/c1-14-2-4-16(5-3-14)22-20-11-10-19(24)12-17(20)13-21(22)15-6-8-18(23)9-7-15/h2-12,23-24H,13H2,1H3
InChIKeyYIFNILRPNDYIBP-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol (CID 11716633) is 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol is Cc1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol?
The InChIKey is YIFNILRPNDYIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-14-2-4-16(5-3-14)22-20-11-10-19(24)12-17(20)13-21(22)15-6-8-18(23)9-7-15/h2-12,23-24H,13H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol?
2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol has a molecular weight of 314.38 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-(4-methylphenyl)-3H-inden-5-ol is sourced from PubChem (CID 11716633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).