(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone

C17H23FO2 — CID 116750841

IUPAC(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(F)cc2C)CCCCCC1
InChIInChI=1S/C17H23FO2/c1-3-20-17(10-6-4-5-7-11-17)16(19)15-9-8-14(18)12-13(15)2/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyXKOARRCXANCQOQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.45
Rot. Bonds4

About (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone

(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 116750841) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID116750841
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(F)cc2C)CCCCCC1
InChIInChI=1S/C17H23FO2/c1-3-20-17(10-6-4-5-7-11-17)16(19)15-9-8-14(18)12-13(15)2/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyXKOARRCXANCQOQ-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
CID 114970764
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
(4-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970746
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone (CID 116750841) is (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone is CCOC1(C(=O)c2ccc(F)cc2C)CCCCCC1.
What is the InChIKey of (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is XKOARRCXANCQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-3-20-17(10-6-4-5-7-11-17)16(19)15-9-8-14(18)12-13(15)2/h8-9,12H,3-7,10-11H2,1-2H3.
What are the key properties of (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone?
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 278.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 116750841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).