4-(5-fluoro-2-methylphenyl)azepan-4-ol

C13H18FNO — CID 103982874

IUPAC4-(5-fluoro-2-methylphenyl)azepan-4-ol
SMILESCc1ccc(F)cc1C1(O)CCCNCC1
InChIInChI=1S/C13H18FNO/c1-10-3-4-11(14)9-12(10)13(16)5-2-7-15-8-6-13/h3-4,9,15-16H,2,5-8H2,1H3
InChIKeyINHKAMVKMHIFJK-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.10
Rot. Bonds1

About 4-(5-fluoro-2-methylphenyl)azepan-4-ol

4-(5-fluoro-2-methylphenyl)azepan-4-ol (PubChem CID 103982874) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)azepan-4-ol.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)azepan-4-ol
PubChem CID103982874
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(5-fluoro-2-methylphenyl)azepan-4-ol
SMILESCc1ccc(F)cc1C1(O)CCCNCC1
InChIInChI=1S/C13H18FNO/c1-10-3-4-11(14)9-12(10)13(16)5-2-7-15-8-6-13/h3-4,9,15-16H,2,5-8H2,1H3
InChIKeyINHKAMVKMHIFJK-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)azepan-4-ol?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)azepan-4-ol (CID 103982874) is 4-(5-fluoro-2-methylphenyl)azepan-4-ol.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)azepan-4-ol?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)azepan-4-ol is Cc1ccc(F)cc1C1(O)CCCNCC1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)azepan-4-ol?
The InChIKey is INHKAMVKMHIFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-3-4-11(14)9-12(10)13(16)5-2-7-15-8-6-13/h3-4,9,15-16H,2,5-8H2,1H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)azepan-4-ol?
4-(5-fluoro-2-methylphenyl)azepan-4-ol has a molecular weight of 223.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)azepan-4-ol is sourced from PubChem (CID 103982874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).