3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid

C14H20O3 — CID 82476446

IUPAC3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
SMILESCc1ccc(C(C)C)cc1C(C)(O)CC(=O)O
InChIInChI=1S/C14H20O3/c1-9(2)11-6-5-10(3)12(7-11)14(4,17)8-13(15)16/h5-7,9,17H,8H2,1-4H3,(H,15,16)
InChIKeyDSZXPTCTUFZADM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.80
Rot. Bonds4

About 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid

3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid (PubChem CID 82476446) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
PubChem CID82476446
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
SMILESCc1ccc(C(C)C)cc1C(C)(O)CC(=O)O
InChIInChI=1S/C14H20O3/c1-9(2)11-6-5-10(3)12(7-11)14(4,17)8-13(15)16/h5-7,9,17H,8H2,1-4H3,(H,15,16)
InChIKeyDSZXPTCTUFZADM-UHFFFAOYSA-N
XLogP2.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol
CID 116866612
2-tert-butyl-4-propan-2-ylbenzoic acid
CID 70422407
N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide
CID 115166849
(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
CID 165362768
3-(2,3-dimethoxy-4-methylphenyl)-3-hydroxybutanoic acid
CID 12617565
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
3-methyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butanoic acid
CID 116930702
3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid
CID 84641969
4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 112517187
3,3-difluoro-3-(2-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 116838378
2-(2-methyl-5-propan-2-ylphenyl)-2-oxoacetic acid
CID 82470282

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid (CID 82476446) is 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid is Cc1ccc(C(C)C)cc1C(C)(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid?
The InChIKey is DSZXPTCTUFZADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9(2)11-6-5-10(3)12(7-11)14(4,17)8-13(15)16/h5-7,9,17H,8H2,1-4H3,(H,15,16).
What are the key properties of 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid?
3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 82476446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).