4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid

C17H20O3 — CID 65297898

IUPAC4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
SMILESCc1ccc(C(O)CC(C)(C)C(=O)O)c2ccccc12
InChIInChI=1S/C17H20O3/c1-11-8-9-14(13-7-5-4-6-12(11)13)15(18)10-17(2,3)16(19)20/h4-9,15,18H,10H2,1-3H3,(H,19,20)
InChIKeyANWCZZIAPKQKKH-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.68
Rot. Bonds4

About 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid

4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid (PubChem CID 65297898) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
PubChem CID65297898
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
SMILESCc1ccc(C(O)CC(C)(C)C(=O)O)c2ccccc12
InChIInChI=1S/C17H20O3/c1-11-8-9-14(13-7-5-4-6-12(11)13)15(18)10-17(2,3)16(19)20/h4-9,15,18H,10H2,1-3H3,(H,19,20)
InChIKeyANWCZZIAPKQKKH-UHFFFAOYSA-N
XLogP3.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-hydroxy-2,2-dimethyl-4-phenylbutanoic acid
CID 95562171
1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503
3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol
CID 57071428
1-(4-methylnaphthalen-1-yl)heptan-1-ol
CID 114753428
4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
CID 65297338
4-(2-fluoro-4-methoxyphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297395
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297696
4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65298089
2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid
CID 116953757
(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171242641
ethyl 3,4-dihydroxy-4-(4-methylnaphthalen-1-yl)butanoate
CID 171898110
S-[2,3-dihydroxy-3-(4-methylnaphthalen-1-yl)propyl] ethanethioate
CID 170822662

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid?
The IUPAC name of 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid (CID 65297898) is 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid.
What is the SMILES notation for 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid?
The canonical SMILES for 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid is Cc1ccc(C(O)CC(C)(C)C(=O)O)c2ccccc12.
What is the InChIKey of 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid?
The InChIKey is ANWCZZIAPKQKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-11-8-9-14(13-7-5-4-6-12(11)13)15(18)10-17(2,3)16(19)20/h4-9,15,18H,10H2,1-3H3,(H,19,20).
What are the key properties of 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid?
4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid is sourced from PubChem (CID 65297898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).