(4-ethynylcyclohexyl)oxymethylbenzene

C15H18O — CID 168926601

IUPAC(4-ethynylcyclohexyl)oxymethylbenzene
SMILESC#CC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C15H18O/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14/h1,3-7,13,15H,8-12H2
InChIKeyLHSJRLBXERBPER-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.40
Rot. Bonds3

About (4-ethynylcyclohexyl)oxymethylbenzene

(4-ethynylcyclohexyl)oxymethylbenzene (PubChem CID 168926601) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (4-ethynylcyclohexyl)oxymethylbenzene.

Molecular Properties

Compound Name(4-ethynylcyclohexyl)oxymethylbenzene
PubChem CID168926601
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(4-ethynylcyclohexyl)oxymethylbenzene
SMILESC#CC1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C15H18O/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14/h1,3-7,13,15H,8-12H2
InChIKeyLHSJRLBXERBPER-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-ethynylcyclohexyl)oxymethylbenzene 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

azane;cyclopentyloxymethylbenzene
CID 69411306
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
4-phenylmethoxyoxane
CID 66554133
(4-isocyanatocyclohexyl)oxymethylbenzene
CID 59767924
1-oxido-4-phenylmethoxypiperidin-1-ium
CID 6374335
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
3-phenylmethoxycyclopentan-1-amine
CID 79421215
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
CID 171784857

Frequently Asked Questions

What is the IUPAC name of (4-ethynylcyclohexyl)oxymethylbenzene?
The IUPAC name of (4-ethynylcyclohexyl)oxymethylbenzene (CID 168926601) is (4-ethynylcyclohexyl)oxymethylbenzene.
What is the SMILES notation for (4-ethynylcyclohexyl)oxymethylbenzene?
The canonical SMILES for (4-ethynylcyclohexyl)oxymethylbenzene is C#CC1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (4-ethynylcyclohexyl)oxymethylbenzene?
The InChIKey is LHSJRLBXERBPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14/h1,3-7,13,15H,8-12H2.
What are the key properties of (4-ethynylcyclohexyl)oxymethylbenzene?
(4-ethynylcyclohexyl)oxymethylbenzene has a molecular weight of 214.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynylcyclohexyl)oxymethylbenzene is sourced from PubChem (CID 168926601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).