4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol

C25H26O — CID 156522121

IUPAC4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol
SMILESOC1=CC=C(C2=CCC(c3ccc4c(c3)C=CC4C3CCCCC3)=C2)C1
InChIInChI=1S/C25H26O/c26-23-11-8-21(16-23)19-7-6-18(14-19)20-9-12-25-22(15-20)10-13-24(25)17-4-2-1-3-5-17/h7-15,17,24,26H,1-6,16H2
InChIKeyJJPWEFMKIIVGFS-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.86
Rot. Bonds3

About 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol

4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol (PubChem CID 156522121) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol.

Molecular Properties

Compound Name4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol
PubChem CID156522121
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol
SMILESOC1=CC=C(C2=CCC(c3ccc4c(c3)C=CC4C3CCCCC3)=C2)C1
InChIInChI=1S/C25H26O/c26-23-11-8-21(16-23)19-7-6-18(14-19)20-9-12-25-22(15-20)10-13-24(25)17-4-2-1-3-5-17/h7-15,17,24,26H,1-6,16H2
InChIKeyJJPWEFMKIIVGFS-UHFFFAOYSA-N
XLogP6.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol?
The IUPAC name of 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol (CID 156522121) is 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol.
What is the SMILES notation for 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol?
The canonical SMILES for 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol is OC1=CC=C(C2=CCC(c3ccc4c(c3)C=CC4C3CCCCC3)=C2)C1.
What is the InChIKey of 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol?
The InChIKey is JJPWEFMKIIVGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c26-23-11-8-21(16-23)19-7-6-18(14-19)20-9-12-25-22(15-20)10-13-24(25)17-4-2-1-3-5-17/h7-15,17,24,26H,1-6,16H2.
What are the key properties of 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol?
4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol has a molecular weight of 342.48 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyclohexyl-1H-inden-5-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-dien-1-ol is sourced from PubChem (CID 156522121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).