1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid

C15H20O4 — CID 117415085

IUPAC1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)c(O)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H20O4/c1-10-8-11(19-2)9-12(13(10)16)15(14(17)18)6-4-3-5-7-15/h8-9,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyGYIZOHKGZCYPQY-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.00
Rot. Bonds3

About 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid

1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117415085) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117415085
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)c(O)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H20O4/c1-10-8-11(19-2)9-12(13(10)16)15(14(17)18)6-4-3-5-7-15/h8-9,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyGYIZOHKGZCYPQY-UHFFFAOYSA-N
XLogP3.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109
1-(3-bromo-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481805
1-(3-chloro-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117390007
1-(2-fluoro-3,4-dihydroxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117424291
2-(1-hydroxycyclopropyl)-4-methoxy-6-methylphenol
CID 117284601
1-(3-fluoro-2-hydroxy-4,5-dimethoxyphenyl)cyclohexane-1-carboxylic acid
CID 117480789
1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419827
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117477551
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299943
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid (CID 117415085) is 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid is COc1cc(C)c(O)c(C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is GYIZOHKGZCYPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10-8-11(19-2)9-12(13(10)16)15(14(17)18)6-4-3-5-7-15/h8-9,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid?
1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117415085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).