1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene

C16H22O — CID 174875456

IUPAC1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene
SMILESC=COCC1CCC(c2ccccc2C)CC1
InChIInChI=1S/C16H22O/c1-3-17-12-14-8-10-15(11-9-14)16-7-5-4-6-13(16)2/h3-7,14-15H,1,8-12H2,2H3
InChIKeyCEBSFIAAWOJGGX-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.43
Rot. Bonds4

About 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene

1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene (PubChem CID 174875456) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene
PubChem CID174875456
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene
SMILESC=COCC1CCC(c2ccccc2C)CC1
InChIInChI=1S/C16H22O/c1-3-17-12-14-8-10-15(11-9-14)16-7-5-4-6-13(16)2/h3-7,14-15H,1,8-12H2,2H3
InChIKeyCEBSFIAAWOJGGX-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene 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-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene?
The IUPAC name of 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene (CID 174875456) is 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene.
What is the SMILES notation for 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene?
The canonical SMILES for 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene is C=COCC1CCC(c2ccccc2C)CC1.
What is the InChIKey of 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene?
The InChIKey is CEBSFIAAWOJGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-17-12-14-8-10-15(11-9-14)16-7-5-4-6-13(16)2/h3-7,14-15H,1,8-12H2,2H3.
What are the key properties of 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene?
1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene has a molecular weight of 230.35 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene is sourced from PubChem (CID 174875456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).