4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid

C15H20O5 — CID 106497082

IUPAC4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(OCC2(O)CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H20O5/c1-19-12-3-2-4-13(9-12)20-10-15(18)7-5-11(6-8-15)14(16)17/h2-4,9,11,18H,5-8,10H2,1H3,(H,16,17)
InChIKeyOEPGYJMQOGYCKK-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.08
Rot. Bonds5

About 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid (PubChem CID 106497082) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid
PubChem CID106497082
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(OCC2(O)CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H20O5/c1-19-12-3-2-4-13(9-12)20-10-15(18)7-5-11(6-8-15)14(16)17/h2-4,9,11,18H,5-8,10H2,1H3,(H,16,17)
InChIKeyOEPGYJMQOGYCKK-UHFFFAOYSA-N
XLogP2.08
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
4-hydroxy-4-[(4-iodophenoxy)methyl]cyclohexane-1-carboxylic acid
CID 106497411
3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid
CID 142960750
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547416
4-hydroxy-4-[(4-methoxyanilino)methyl]cyclohexane-1-carboxylic acid
CID 106499024
ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 143857791
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
4-[(3-chloro-2-cyanophenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497759
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122004010

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid (CID 106497082) is 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid is COc1cccc(OCC2(O)CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is OEPGYJMQOGYCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-19-12-3-2-4-13(9-12)20-10-15(18)7-5-11(6-8-15)14(16)17/h2-4,9,11,18H,5-8,10H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106497082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).