4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid

C16H20O5 — CID 106497097

IUPAC4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC(=O)c1ccc(OCC2(O)CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H20O5/c1-11(17)12-2-4-14(5-3-12)21-10-16(20)8-6-13(7-9-16)15(18)19/h2-5,13,20H,6-10H2,1H3,(H,18,19)
InChIKeyPSWMGADNQOBOSZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.27
Rot. Bonds5

About 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106497097) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106497097
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC(=O)c1ccc(OCC2(O)CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H20O5/c1-11(17)12-2-4-14(5-3-12)21-10-16(20)8-6-13(7-9-16)15(18)19/h2-5,13,20H,6-10H2,1H3,(H,18,19)
InChIKeyPSWMGADNQOBOSZ-UHFFFAOYSA-N
XLogP2.27
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-4-[(4-iodophenoxy)methyl]cyclohexane-1-carboxylic acid
CID 106497411
4-[(4-formylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497494
4-[[4-(cyanomethyl)phenoxy]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497066
4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid
CID 106497082
4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide
CID 109416271
ethyl 4-[(4-ethoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 167976497
4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119229338
1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
CID 131961467
1-[4-[[1-(bromomethyl)cyclopentyl]methoxy]phenyl]ethanone
CID 65001694
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
4-[(2-bromo-4-chlorophenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497181

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106497097) is 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid is CC(=O)c1ccc(OCC2(O)CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is PSWMGADNQOBOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-11(17)12-2-4-14(5-3-12)21-10-16(20)8-6-13(7-9-16)15(18)19/h2-5,13,20H,6-10H2,1H3,(H,18,19).
What are the key properties of 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106497097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).