cyclohepta-1,3,4,6-tetraen-1-ylmethanol

C8H8O — CID 123806054

IUPACcyclohepta-1,3,4,6-tetraen-1-ylmethanol
SMILESOCC1=CC=C=CC=C1
InChIInChI=1S/C8H8O/c9-7-8-5-3-1-2-4-6-8/h1,3-6,9H,7H2
InChIKeyIOYHFUQTFKYMMV-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.19
Rot. Bonds1

About cyclohepta-1,3,4,6-tetraen-1-ylmethanol

cyclohepta-1,3,4,6-tetraen-1-ylmethanol (PubChem CID 123806054) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is cyclohepta-1,3,4,6-tetraen-1-ylmethanol.

Molecular Properties

Compound Namecyclohepta-1,3,4,6-tetraen-1-ylmethanol
PubChem CID123806054
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Namecyclohepta-1,3,4,6-tetraen-1-ylmethanol
SMILESOCC1=CC=C=CC=C1
InChIInChI=1S/C8H8O/c9-7-8-5-3-1-2-4-6-8/h1,3-6,9H,7H2
InChIKeyIOYHFUQTFKYMMV-UHFFFAOYSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,4,6-tetraen-1-ylmethanol?
The IUPAC name of cyclohepta-1,3,4,6-tetraen-1-ylmethanol (CID 123806054) is cyclohepta-1,3,4,6-tetraen-1-ylmethanol.
What is the SMILES notation for cyclohepta-1,3,4,6-tetraen-1-ylmethanol?
The canonical SMILES for cyclohepta-1,3,4,6-tetraen-1-ylmethanol is OCC1=CC=C=CC=C1.
What is the InChIKey of cyclohepta-1,3,4,6-tetraen-1-ylmethanol?
The InChIKey is IOYHFUQTFKYMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c9-7-8-5-3-1-2-4-6-8/h1,3-6,9H,7H2.
What are the key properties of cyclohepta-1,3,4,6-tetraen-1-ylmethanol?
cyclohepta-1,3,4,6-tetraen-1-ylmethanol has a molecular weight of 120.15 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,4,6-tetraen-1-ylmethanol is sourced from PubChem (CID 123806054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).