1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone

C16H21FO3 — CID 103158590

IUPAC1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCC(O)CC1CCCC1
InChIInChI=1S/C16H21FO3/c1-11(18)15-7-6-13(17)9-16(15)20-10-14(19)8-12-4-2-3-5-12/h6-7,9,12,14,19H,2-5,8,10H2,1H3
InChIKeyKHUFKYUZBGKBAM-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.35
Rot. Bonds6

About 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone

1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone (PubChem CID 103158590) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone
PubChem CID103158590
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCC(O)CC1CCCC1
InChIInChI=1S/C16H21FO3/c1-11(18)15-7-6-13(17)9-16(15)20-10-14(19)8-12-4-2-3-5-12/h6-7,9,12,14,19H,2-5,8,10H2,1H3
InChIKeyKHUFKYUZBGKBAM-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
CID 114264292
4-bromo-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103156157
2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid
CID 103156154
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-[2-(2-bromoethoxy)-4-fluorophenyl]ethanone
CID 63069077
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
CID 107014327
N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
CID 103160504
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-[2-(3-chloro-2-hydroxypropoxy)-5-fluorophenyl]ethanone
CID 112560860

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone (CID 103158590) is 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)cc1OCC(O)CC1CCCC1.
What is the InChIKey of 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone?
The InChIKey is KHUFKYUZBGKBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c1-11(18)15-7-6-13(17)9-16(15)20-10-14(19)8-12-4-2-3-5-12/h6-7,9,12,14,19H,2-5,8,10H2,1H3.
What are the key properties of 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone?
1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone has a molecular weight of 280.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone is sourced from PubChem (CID 103158590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).