4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid

C14H20O3 — CID 65297591

IUPAC4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
SMILESCCc1ccc(C(O)CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-4-10-5-7-11(8-6-10)12(15)9-14(2,3)13(16)17/h5-8,12,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyORRVRAYHIQTXMR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.78
Rot. Bonds5

About 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid

4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid (PubChem CID 65297591) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
PubChem CID65297591
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
SMILESCCc1ccc(C(O)CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-4-10-5-7-11(8-6-10)12(15)9-14(2,3)13(16)17/h5-8,12,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyORRVRAYHIQTXMR-UHFFFAOYSA-N
XLogP2.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65298089
(4S)-4-hydroxy-2,2-dimethyl-4-phenylbutanoic acid
CID 95562171
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
1,3-bis(4-chlorophenyl)propane-1,3-diol;bis(4-ethylbenzoic acid)
CID 66728211
4-[4-(5-carboxy-5-methylhexan-3-yl)phenyl]-2,2-dimethylhexanoic acid
CID 90345851
3-[4-[(1R)-1-hydroxypropyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79624226
4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297695
4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
4-(3-bromo-4-propoxyphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 104658413
5-(4-ethylphenoxy)-2,2-dimethylpentanoic acid
CID 22891666

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid (CID 65297591) is 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid is CCc1ccc(C(O)CC(C)(C)C(=O)O)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
The InChIKey is ORRVRAYHIQTXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-10-5-7-11(8-6-10)12(15)9-14(2,3)13(16)17/h5-8,12,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid?
4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65297591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).