1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

C14H18O3 — CID 117340569

IUPAC1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(O)c(C(C)C)cc1C1(C(=O)O)CC1
InChIInChI=1S/C14H18O3/c1-8(2)10-7-11(9(3)6-12(10)15)14(4-5-14)13(16)17/h6-8,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyXFPCDRXAVOAHHA-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid

1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117340569) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117340569
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cc(O)c(C(C)C)cc1C1(C(=O)O)CC1
InChIInChI=1S/C14H18O3/c1-8(2)10-7-11(9(3)6-12(10)15)14(4-5-14)13(16)17/h6-8,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyXFPCDRXAVOAHHA-UHFFFAOYSA-N
XLogP2.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117469278
1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 84799147
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117373942
1-(5-fluoro-2-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299943
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(4-tert-butyl-5-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117410599
1-(3-bromo-2-hydroxy-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117458823
1-(8-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropane-1-carboxylic acid
CID 117442400
1-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117425405
1-(2-formyl-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117310769
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid (CID 117340569) is 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is Cc1cc(O)c(C(C)C)cc1C1(C(=O)O)CC1.
What is the InChIKey of 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is XFPCDRXAVOAHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-8(2)10-7-11(9(3)6-12(10)15)14(4-5-14)13(16)17/h6-8,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid?
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 234.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117340569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).