[(1S,2R)-2-prop-2-enoxycyclohexyl]benzene

C15H20O — CID 11264404

IUPAC[(1S,2R)-2-prop-2-enoxycyclohexyl]benzene
SMILESC=CCO[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C15H20O/c1-2-12-16-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2-5,8-9,14-15H,1,6-7,10-12H2/t14-,15+/m0/s1
InChIKeyFRDMDXRCSVMKML-LSDHHAIUSA-N
MW216.32 g/mol
LogP3.92
Rot. Bonds4

About [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene

[(1S,2R)-2-prop-2-enoxycyclohexyl]benzene (PubChem CID 11264404) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene.

Molecular Properties

Compound Name[(1S,2R)-2-prop-2-enoxycyclohexyl]benzene
PubChem CID11264404
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name[(1S,2R)-2-prop-2-enoxycyclohexyl]benzene
SMILESC=CCO[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C15H20O/c1-2-12-16-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2-5,8-9,14-15H,1,6-7,10-12H2/t14-,15+/m0/s1
InChIKeyFRDMDXRCSVMKML-LSDHHAIUSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene 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

[(1R,2S)-2-buta-1,3-dien-2-yloxycyclohexyl]benzene
CID 102426491
[(1S,2R)-2-prop-2-enylcyclohexyl]benzene
CID 101198941
(2-phenylcyclohexyl) formate
CID 87286934
[(1R,2R)-2-phenylcyclohexyl] [(1S,2R)-2-phenylcyclohexyl] [(1S,2S)-2-phenylcyclohexyl] borate
CID 125124690
[(1R,2S)-2-phenylcyclohexyl]oxyphosphinite
CID 102484366
[(1R,2R)-2-prop-2-enoxycyclopentyl] benzoate
CID 11334083
(2-phenylcyclohexyl) 2-oxoacetate
CID 13498606
[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
CID 15691294
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
[(1R,2S)-2-phenylcyclohexyl] N-[[(1R,2S)-2-phenylcyclohexyl]oxycarbonylamino]carbamate
CID 134883244
(2S,3R)-3-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 102051158
[(1S,2R)-2-[(1R)-2,2-dibromo-1-buta-2,3-dienoxypropoxy]cyclohexyl]benzene
CID 11154990

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene?
The IUPAC name of [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene (CID 11264404) is [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene.
What is the SMILES notation for [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene?
The canonical SMILES for [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene is C=CCO[C@@H]1CCCC[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene?
The InChIKey is FRDMDXRCSVMKML-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H20O/c1-2-12-16-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2-5,8-9,14-15H,1,6-7,10-12H2/t14-,15+/m0/s1.
What are the key properties of [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene?
[(1S,2R)-2-prop-2-enoxycyclohexyl]benzene has a molecular weight of 216.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-prop-2-enoxycyclohexyl]benzene is sourced from PubChem (CID 11264404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).