(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C15H20FNO3 — CID 107404168

IUPAC(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C)(O)CC2)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-15(19)6-3-8-17(9-7-15)14(18)12-5-4-11(20-2)10-13(12)16/h4-5,10,19H,3,6-9H2,1-2H3
InChIKeyNMXSBLAKKCMXAO-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.21
Rot. Bonds2

About (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404168) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404168
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C)(O)CC2)c(F)c1
InChIInChI=1S/C15H20FNO3/c1-15(19)6-3-8-17(9-7-15)14(18)12-5-4-11(20-2)10-13(12)16/h4-5,10,19H,3,6-9H2,1-2H3
InChIKeyNMXSBLAKKCMXAO-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404373
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392243
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(2,4-difluoro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406836
[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469619
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
(2-hydroxy-5-methoxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875374
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406432

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404168) is (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is COc1ccc(C(=O)N2CCCC(C)(O)CC2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is NMXSBLAKKCMXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(19)6-3-8-17(9-7-15)14(18)12-5-4-11(20-2)10-13(12)16/h4-5,10,19H,3,6-9H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 281.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).