1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid

C12H14O3 — CID 84674072

IUPAC1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccccc1C(O)C1(C(=O)O)CC1
InChIInChI=1S/C12H14O3/c1-8-4-2-3-5-9(8)10(13)12(6-7-12)11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)
InChIKeyMTGYYWHZXVQVJM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.89
Rot. Bonds3

About 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid

1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 84674072) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID84674072
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESCc1ccccc1C(O)C1(C(=O)O)CC1
InChIInChI=1S/C12H14O3/c1-8-4-2-3-5-9(8)10(13)12(6-7-12)11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)
InChIKeyMTGYYWHZXVQVJM-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 105494496
1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 84675891
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125452234
acetic acid;(2-methylphenyl)methanediol
CID 71361235
1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836256
1-[hydroxy-(2-methylphenyl)methyl]cyclooctane-1-carbonitrile
CID 80603593
1-[amino-(2,5-dimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943053
(2-methylphenyl)-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol
CID 134977791
1-adamantyl-(2-methylphenyl)methanol
CID 63410950
methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116959124
1-[hydroxy-(2-methylphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79136881
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid (CID 84674072) is 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid is Cc1ccccc1C(O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is MTGYYWHZXVQVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-4-2-3-5-9(8)10(13)12(6-7-12)11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15).
What are the key properties of 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid?
1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(2-methylphenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84674072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).