2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid

C15H20O3 — CID 83725276

IUPAC2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(O)(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H20O3/c1-11-7-5-6-10-13(11)15(18,14(16)17)12-8-3-2-4-9-12/h5-7,10,12,18H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyHZIRVMNMSJVFKM-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.85
Rot. Bonds3

About 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid

2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid (PubChem CID 83725276) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
PubChem CID83725276
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(O)(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H20O3/c1-11-7-5-6-10-13(11)15(18,14(16)17)12-8-3-2-4-9-12/h5-7,10,12,18H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyHZIRVMNMSJVFKM-UHFFFAOYSA-N
XLogP2.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 56924194
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid
CID 67469384
2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
CID 121438093
1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one
CID 123725623
2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid
CID 18922125
2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetic acid
CID 18922058
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid
CID 114997949
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid (CID 83725276) is 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid is Cc1ccccc1C(O)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid?
The InChIKey is HZIRVMNMSJVFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-7-5-6-10-13(11)15(18,14(16)17)12-8-3-2-4-9-12/h5-7,10,12,18H,2-4,8-9H2,1H3,(H,16,17).
What are the key properties of 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid?
2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid has a molecular weight of 248.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 83725276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).