1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone

C15H20O2 — CID 10657221

IUPAC1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone
SMILESO=C(CC1(O)CCCCC1)C1=CC=CC=CC1
InChIInChI=1S/C15H20O2/c16-14(13-8-4-1-2-5-9-13)12-15(17)10-6-3-7-11-15/h1-2,4-5,8,17H,3,6-7,9-12H2
InChIKeyREIHALSEILNXKZ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.08
Rot. Bonds3

About 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone

1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone (PubChem CID 10657221) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone
PubChem CID10657221
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone
SMILESO=C(CC1(O)CCCCC1)C1=CC=CC=CC1
InChIInChI=1S/C15H20O2/c16-14(13-8-4-1-2-5-9-13)12-15(17)10-6-3-7-11-15/h1-2,4-5,8,17H,3,6-7,9-12H2
InChIKeyREIHALSEILNXKZ-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone (CID 10657221) is 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone is O=C(CC1(O)CCCCC1)C1=CC=CC=CC1.
What is the InChIKey of 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone?
The InChIKey is REIHALSEILNXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-14(13-8-4-1-2-5-9-13)12-15(17)10-6-3-7-11-15/h1-2,4-5,8,17H,3,6-7,9-12H2.
What are the key properties of 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone?
1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone has a molecular weight of 232.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,5-trien-1-yl-2-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 10657221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).