2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

C14H18O3 — CID 83923837

IUPAC2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1cccc(O)c1CC(C)C1CC1C(=O)O
InChIInChI=1S/C14H18O3/c1-8-4-3-5-13(15)11(8)6-9(2)10-7-12(10)14(16)17/h3-5,9-10,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyNRIAMDYCVITYPV-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.60
Rot. Bonds4

About 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid

2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 83923837) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID83923837
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1cccc(O)c1CC(C)C1CC1C(=O)O
InChIInChI=1S/C14H18O3/c1-8-4-3-5-13(15)11(8)6-9(2)10-7-12(10)14(16)17/h3-5,9-10,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyNRIAMDYCVITYPV-UHFFFAOYSA-N
XLogP2.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000
2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83930911
2-[1-(2,4-dimethylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928092
2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83937325
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 112718318
2-[1-(2,5-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83931438
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928902
2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928582
2-[1-(3,5-dichloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928708
2-[1-(2-chloro-4,5-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83943685
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid (CID 83923837) is 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is Cc1cccc(O)c1CC(C)C1CC1C(=O)O.
What is the InChIKey of 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is NRIAMDYCVITYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-8-4-3-5-13(15)11(8)6-9(2)10-7-12(10)14(16)17/h3-5,9-10,12,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid?
2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 234.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-6-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83923837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).