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

C17H23FO3 — CID 103395364

IUPAC(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(OC)cc2F)CCCCCC1
InChIInChI=1S/C17H23FO3/c1-3-21-17(10-6-4-5-7-11-17)16(19)14-9-8-13(20-2)12-15(14)18/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyKQNIJSHAHDGXDS-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.15
Rot. Bonds5

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

(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 103395364) has the molecular formula C17H23FO3 and a molecular weight of 294.37 g/mol. Its IUPAC name is (1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID103395364
Molecular FormulaC17H23FO3
Molecular Weight294.37 g/mol
Exact Mass294.16
IUPAC Name(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(OC)cc2F)CCCCCC1
InChIInChI=1S/C17H23FO3/c1-3-21-17(10-6-4-5-7-11-17)16(19)14-9-8-13(20-2)12-15(14)18/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyKQNIJSHAHDGXDS-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 103397099
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873
(2-fluoro-4-methoxyphenyl)-[1-(6-methyl-2-pyridinyl)cyclohexyl]methanone
CID 175922234
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
(3-bromo-2,6-difluorophenyl)-(1-ethoxycycloheptyl)methanone
CID 106941879

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone (CID 103395364) is (1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone is CCOC1(C(=O)c2ccc(OC)cc2F)CCCCCC1.
What is the InChIKey of (1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is KQNIJSHAHDGXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO3/c1-3-21-17(10-6-4-5-7-11-17)16(19)14-9-8-13(20-2)12-15(14)18/h8-9,12H,3-7,10-11H2,1-2H3.
What are the key properties of (1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone?
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 294.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 103395364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).