1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol

C13H14O — CID 175132000

IUPAC1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol
SMILESC=C=C(c1ccccc1)C1(O)CCC1
InChIInChI=1S/C13H14O/c1-2-12(13(14)9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,14H,1,6,9-10H2
InChIKeyKCKKFFAVHRZFRS-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.77
Rot. Bonds2

About 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol

1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol (PubChem CID 175132000) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol
PubChem CID175132000
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol
SMILESC=C=C(c1ccccc1)C1(O)CCC1
InChIInChI=1S/C13H14O/c1-2-12(13(14)9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,14H,1,6,9-10H2
InChIKeyKCKKFFAVHRZFRS-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol?
The IUPAC name of 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol (CID 175132000) is 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol?
The canonical SMILES for 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol is C=C=C(c1ccccc1)C1(O)CCC1.
What is the InChIKey of 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol?
The InChIKey is KCKKFFAVHRZFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-2-12(13(14)9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,14H,1,6,9-10H2.
What are the key properties of 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol?
1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol is sourced from PubChem (CID 175132000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).