3-(1H-inden-4-yl)cyclobutan-1-ol

C13H14O — CID 176717731

IUPAC3-(1H-inden-4-yl)cyclobutan-1-ol
SMILESOC1CC(c2cccc3c2C=CC3)C1
InChIInChI=1S/C13H14O/c14-11-7-10(8-11)13-6-2-4-9-3-1-5-12(9)13/h1-2,4-6,10-11,14H,3,7-8H2
InChIKeyIYFBXPCMOXWCFF-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.49
Rot. Bonds1

About 3-(1H-inden-4-yl)cyclobutan-1-ol

3-(1H-inden-4-yl)cyclobutan-1-ol (PubChem CID 176717731) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(1H-inden-4-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(1H-inden-4-yl)cyclobutan-1-ol
PubChem CID176717731
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name3-(1H-inden-4-yl)cyclobutan-1-ol
SMILESOC1CC(c2cccc3c2C=CC3)C1
InChIInChI=1S/C13H14O/c14-11-7-10(8-11)13-6-2-4-9-3-1-5-12(9)13/h1-2,4-6,10-11,14H,3,7-8H2
InChIKeyIYFBXPCMOXWCFF-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(1H-inden-4-yl)-2-adamantylidene]-dimethylsilane
CID 173036893
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
1H-inden-4-amine;methanamine
CID 174766313
1H-inden-4-yl(diphenyl)phosphane
CID 102082099
1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol
CID 90057089
4,5-dicyclohexyl-1H-indene
CID 173356994
5-cyclopropyl-4-propan-2-yl-1H-indene
CID 157248979
4-propyl-1H-indene
CID 18314956
bis(1H-inden-4-yl) (Z)-but-2-enedioate
CID 70360534
4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene
CID 23590991
4-(3,5-diphenylphenyl)-1H-indene
CID 22471910
lithium;hydride;4-(2-methylphenyl)-1H-indene
CID 175034488

Frequently Asked Questions

What is the IUPAC name of 3-(1H-inden-4-yl)cyclobutan-1-ol?
The IUPAC name of 3-(1H-inden-4-yl)cyclobutan-1-ol (CID 176717731) is 3-(1H-inden-4-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-(1H-inden-4-yl)cyclobutan-1-ol?
The canonical SMILES for 3-(1H-inden-4-yl)cyclobutan-1-ol is OC1CC(c2cccc3c2C=CC3)C1.
What is the InChIKey of 3-(1H-inden-4-yl)cyclobutan-1-ol?
The InChIKey is IYFBXPCMOXWCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c14-11-7-10(8-11)13-6-2-4-9-3-1-5-12(9)13/h1-2,4-6,10-11,14H,3,7-8H2.
What are the key properties of 3-(1H-inden-4-yl)cyclobutan-1-ol?
3-(1H-inden-4-yl)cyclobutan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-inden-4-yl)cyclobutan-1-ol is sourced from PubChem (CID 176717731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).