4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid

C14H20O4 — CID 143021723

IUPAC4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid
SMILESCC(C)(O)CC(C)(C)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-13(2,17)9-14(3,4)18-11-7-5-10(6-8-11)12(15)16/h5-8,17H,9H2,1-4H3,(H,15,16)
InChIKeyLQYVQFOETGODQS-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.70
Rot. Bonds5

About 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid

4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid (PubChem CID 143021723) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid
PubChem CID143021723
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid
SMILESCC(C)(O)CC(C)(C)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-13(2,17)9-14(3,4)18-11-7-5-10(6-8-11)12(15)16/h5-8,17H,9H2,1-4H3,(H,15,16)
InChIKeyLQYVQFOETGODQS-UHFFFAOYSA-N
XLogP2.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid
CID 117053492
4-(2-bromopropan-2-yloxy)benzoic acid
CID 174654971
4-(1,1-dimethoxyethoxy)benzoic acid
CID 174603302
1-[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl]oxy-4-methylbenzene
CID 142305677
[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone
CID 145160096
6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid
CID 163647200
2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide
CID 123309344
4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
CID 142080279
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
4-methoxybenzoic acid;silver
CID 140722019

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid?
The IUPAC name of 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid (CID 143021723) is 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid.
What is the SMILES notation for 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid?
The canonical SMILES for 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid is CC(C)(O)CC(C)(C)Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid?
The InChIKey is LQYVQFOETGODQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-13(2,17)9-14(3,4)18-11-7-5-10(6-8-11)12(15)16/h5-8,17H,9H2,1-4H3,(H,15,16).
What are the key properties of 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid?
4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid is sourced from PubChem (CID 143021723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).