cyclohepta-1,3,5-trien-1-ylmethanol

C8H10O — CID 14974868

IUPACcyclohepta-1,3,5-trien-1-ylmethanol
SMILESOCC1=CC=CC=CC1
InChIInChI=1S/C8H10O/c9-7-8-5-3-1-2-4-6-8/h1-5,9H,6-7H2
InChIKeyZDIREQHOUVHSEN-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.42
Rot. Bonds1

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

cyclohepta-1,3,5-trien-1-ylmethanol (PubChem CID 14974868) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is cyclohepta-1,3,5-trien-1-ylmethanol.

Molecular Properties

Compound Namecyclohepta-1,3,5-trien-1-ylmethanol
PubChem CID14974868
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Namecyclohepta-1,3,5-trien-1-ylmethanol
SMILESOCC1=CC=CC=CC1
InChIInChI=1S/C8H10O/c9-7-8-5-3-1-2-4-6-8/h1-5,9H,6-7H2
InChIKeyZDIREQHOUVHSEN-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cyclohepta-1,3,5-trien-1-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Octadien-1-ol, (2E,4E)-
CID 6436488
(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol
CID 5319723
2-Ethylhex-2-enol
CID 5362614
Octa-2,4-dien-1-ol
CID 87631
(2Z)-2-methyl-6-methylideneocta-2,7-dien-1-ol
CID 5352139
2,4-Dimethyl-2E,4E-heptadien-1-ol
CID 44256514
(2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trien-1-ol
CID 15276469
2-Ethylhex-2-en-1-ol
CID 5362615
Ferrocenyl methanol
CID 10856885
Cyclopentylmethanol;iron
CID 16212382
2-Methyl-6-methylene-2,7-octadienol
CID 518947
2,6-Dimethyl-10-methylidenedodeca-2,6,11-trien-1-ol
CID 85385603

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-trien-1-ylmethanol?
The IUPAC name of cyclohepta-1,3,5-trien-1-ylmethanol (CID 14974868) is cyclohepta-1,3,5-trien-1-ylmethanol.
What is the SMILES notation for cyclohepta-1,3,5-trien-1-ylmethanol?
The canonical SMILES for cyclohepta-1,3,5-trien-1-ylmethanol is OCC1=CC=CC=CC1.
What is the InChIKey of cyclohepta-1,3,5-trien-1-ylmethanol?
The InChIKey is ZDIREQHOUVHSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c9-7-8-5-3-1-2-4-6-8/h1-5,9H,6-7H2.
What are the key properties of cyclohepta-1,3,5-trien-1-ylmethanol?
cyclohepta-1,3,5-trien-1-ylmethanol has a molecular weight of 122.17 g/mol, XLogP of 1.42, 1 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-ylmethanol is sourced from PubChem (CID 14974868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).