4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one

C16H21FO4 — CID 130433786

IUPAC4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one
SMILESCOc1ccc(F)cc1[C@H](CO)OCC1CCC(=O)CC1
InChIInChI=1S/C16H21FO4/c1-20-15-7-4-12(17)8-14(15)16(9-18)21-10-11-2-5-13(19)6-3-11/h4,7-8,11,16,18H,2-3,5-6,9-10H2,1H3/t16-/m0/s1
InChIKeyCBRAGYKKHZTBDJ-INIZCTEOSA-N
MW296.34 g/mol
LogP2.64
Rot. Bonds6

About 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one

4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one (PubChem CID 130433786) has the molecular formula C16H21FO4 and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one
PubChem CID130433786
Molecular FormulaC16H21FO4
Molecular Weight296.34 g/mol
Exact Mass296.14
IUPAC Name4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one
SMILESCOc1ccc(F)cc1[C@H](CO)OCC1CCC(=O)CC1
InChIInChI=1S/C16H21FO4/c1-20-15-7-4-12(17)8-14(15)16(9-18)21-10-11-2-5-13(19)6-3-11/h4,7-8,11,16,18H,2-3,5-6,9-10H2,1H3/t16-/m0/s1
InChIKeyCBRAGYKKHZTBDJ-INIZCTEOSA-N
XLogP2.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
3-[1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]propanenitrile
CID 142550262
4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957071
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate
CID 129176513
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutoxy]ethanol
CID 129227461
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
N-(cyclopropylmethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]formamide
CID 167945015
2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860302
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 66323732

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one (CID 130433786) is 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one is COc1ccc(F)cc1[C@H](CO)OCC1CCC(=O)CC1.
What is the InChIKey of 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one?
The InChIKey is CBRAGYKKHZTBDJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21FO4/c1-20-15-7-4-12(17)8-14(15)16(9-18)21-10-11-2-5-13(19)6-3-11/h4,7-8,11,16,18H,2-3,5-6,9-10H2,1H3/t16-/m0/s1.
What are the key properties of 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one?
4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one has a molecular weight of 296.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one is sourced from PubChem (CID 130433786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).