cyclohepta-1,3,5-trien-1-ol

C7H8O — CID 68573482

IUPACcyclohepta-1,3,5-trien-1-ol
SMILESOC1=CC=CC=CC1
InChIInChI=1S/C7H8O/c8-7-5-3-1-2-4-6-7/h1-5,8H,6H2
InChIKeyRINYHILACIYJJR-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.94
Rot. Bonds

About cyclohepta-1,3,5-trien-1-ol

cyclohepta-1,3,5-trien-1-ol (PubChem CID 68573482) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is cyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Namecyclohepta-1,3,5-trien-1-ol
PubChem CID68573482
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Namecyclohepta-1,3,5-trien-1-ol
SMILESOC1=CC=CC=CC1
InChIInChI=1S/C7H8O/c8-7-5-3-1-2-4-6-7/h1-5,8H,6H2
InChIKeyRINYHILACIYJJR-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-trien-1-ol?
The IUPAC name of cyclohepta-1,3,5-trien-1-ol (CID 68573482) is cyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for cyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for cyclohepta-1,3,5-trien-1-ol is OC1=CC=CC=CC1.
What is the InChIKey of cyclohepta-1,3,5-trien-1-ol?
The InChIKey is RINYHILACIYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c8-7-5-3-1-2-4-6-7/h1-5,8H,6H2.
What are the key properties of cyclohepta-1,3,5-trien-1-ol?
cyclohepta-1,3,5-trien-1-ol has a molecular weight of 108.14 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 68573482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).