4-methoxy-3,5-di(propan-2-yl)benzoic acid

C14H20O3 — CID 15895030

IUPAC4-methoxy-3,5-di(propan-2-yl)benzoic acid
SMILESCOc1c(C(C)C)cc(C(=O)O)cc1C(C)C
InChIInChI=1S/C14H20O3/c1-8(2)11-6-10(14(15)16)7-12(9(3)4)13(11)17-5/h6-9H,1-5H3,(H,15,16)
InChIKeyIIDVLGKHIXHIMH-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.64
Rot. Bonds4

About 4-methoxy-3,5-di(propan-2-yl)benzoic acid

4-methoxy-3,5-di(propan-2-yl)benzoic acid (PubChem CID 15895030) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methoxy-3,5-di(propan-2-yl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3,5-di(propan-2-yl)benzoic acid
PubChem CID15895030
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-methoxy-3,5-di(propan-2-yl)benzoic acid
SMILESCOc1c(C(C)C)cc(C(=O)O)cc1C(C)C
InChIInChI=1S/C14H20O3/c1-8(2)11-6-10(14(15)16)7-12(9(3)4)13(11)17-5/h6-9H,1-5H3,(H,15,16)
InChIKeyIIDVLGKHIXHIMH-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methoxy-5-propan-2-ylbenzoic acid
CID 117329554
3-(1-carboxyethyl)-4,5-dimethoxybenzoic acid
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5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid
CID 163207086
4-propan-2-yl-1H-indole-6-carboxylic acid
CID 159922488
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
3-amino-4-methoxy-2-methyl-5-propan-2-ylbenzoic acid
CID 105480459
4,6,7-trimethoxy-8-propan-2-ylnaphthalene-2-carboxylic acid
CID 11088021
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
1-methyl-3,7-di(propan-2-yl)indole-5-carboxylic acid
CID 83945763
2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117469305
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739
4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid
CID 159385811

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-di(propan-2-yl)benzoic acid?
The IUPAC name of 4-methoxy-3,5-di(propan-2-yl)benzoic acid (CID 15895030) is 4-methoxy-3,5-di(propan-2-yl)benzoic acid.
What is the SMILES notation for 4-methoxy-3,5-di(propan-2-yl)benzoic acid?
The canonical SMILES for 4-methoxy-3,5-di(propan-2-yl)benzoic acid is COc1c(C(C)C)cc(C(=O)O)cc1C(C)C.
What is the InChIKey of 4-methoxy-3,5-di(propan-2-yl)benzoic acid?
The InChIKey is IIDVLGKHIXHIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8(2)11-6-10(14(15)16)7-12(9(3)4)13(11)17-5/h6-9H,1-5H3,(H,15,16).
What are the key properties of 4-methoxy-3,5-di(propan-2-yl)benzoic acid?
4-methoxy-3,5-di(propan-2-yl)benzoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-di(propan-2-yl)benzoic acid is sourced from PubChem (CID 15895030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).