(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone

C17H17FO2 — CID 116543424

IUPAC(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C17H17FO2/c1-3-5-12-6-4-7-13(10-12)17(19)15-9-8-14(20-2)11-16(15)18/h4,6-11H,3,5H2,1-2H3
InChIKeyHSDPFKWVQSNHDX-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.02
Rot. Bonds5

About (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone

(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone (PubChem CID 116543424) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone
PubChem CID116543424
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C17H17FO2/c1-3-5-12-6-4-7-13(10-12)17(19)15-9-8-14(20-2)11-16(15)18/h4,6-11H,3,5H2,1-2H3
InChIKeyHSDPFKWVQSNHDX-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone (CID 116543424) is (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2ccc(OC)cc2F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone?
The InChIKey is HSDPFKWVQSNHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-5-12-6-4-7-13(10-12)17(19)15-9-8-14(20-2)11-16(15)18/h4,6-11H,3,5H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone?
(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone has a molecular weight of 272.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 116543424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).