2-(4-phenylcyclohexyl)oxyethyl formate

C15H20O3 — CID 175529771

IUPAC2-(4-phenylcyclohexyl)oxyethyl formate
SMILESO=COCCOC1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O3/c16-12-17-10-11-18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2
InChIKeyUZYQWXWGFKAGHV-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.90
Rot. Bonds6

About 2-(4-phenylcyclohexyl)oxyethyl formate

2-(4-phenylcyclohexyl)oxyethyl formate (PubChem CID 175529771) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(4-phenylcyclohexyl)oxyethyl formate.

Molecular Properties

Compound Name2-(4-phenylcyclohexyl)oxyethyl formate
PubChem CID175529771
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(4-phenylcyclohexyl)oxyethyl formate
SMILESO=COCCOC1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H20O3/c16-12-17-10-11-18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2
InChIKeyUZYQWXWGFKAGHV-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylcyclohexyl)oxyethyl formate?
The IUPAC name of 2-(4-phenylcyclohexyl)oxyethyl formate (CID 175529771) is 2-(4-phenylcyclohexyl)oxyethyl formate.
What is the SMILES notation for 2-(4-phenylcyclohexyl)oxyethyl formate?
The canonical SMILES for 2-(4-phenylcyclohexyl)oxyethyl formate is O=COCCOC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylcyclohexyl)oxyethyl formate?
The InChIKey is UZYQWXWGFKAGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-12-17-10-11-18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2.
What are the key properties of 2-(4-phenylcyclohexyl)oxyethyl formate?
2-(4-phenylcyclohexyl)oxyethyl formate has a molecular weight of 248.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylcyclohexyl)oxyethyl formate is sourced from PubChem (CID 175529771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).