(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone

C15H19FO2 — CID 116748423

IUPAC(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
SMILESCCOC1(C(=O)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H19FO2/c1-2-18-15(10-4-3-5-11-15)14(17)12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3
InChIKeyDNXZACIRMQPSNF-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.75
Rot. Bonds4

About (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone

(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone (PubChem CID 116748423) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
PubChem CID116748423
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
SMILESCCOC1(C(=O)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H19FO2/c1-2-18-15(10-4-3-5-11-15)14(17)12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3
InChIKeyDNXZACIRMQPSNF-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 116748235
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(1-ethoxycyclopentyl)-(furan-3-yl)methanone
CID 116747796
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(3,5-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 116750038
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone?
The IUPAC name of (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone (CID 116748423) is (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone is CCOC1(C(=O)c2ccc(F)cc2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone?
The InChIKey is DNXZACIRMQPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-2-18-15(10-4-3-5-11-15)14(17)12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone?
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone has a molecular weight of 250.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 116748423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).