5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid

C19H22O3 — CID 69114760

IUPAC5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid
SMILESCCCOc1ccc(-c2cccc(C(C)C)c2)cc1C(=O)O
InChIInChI=1S/C19H22O3/c1-4-10-22-18-9-8-16(12-17(18)19(20)21)15-7-5-6-14(11-15)13(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,20,21)
InChIKeyHPFCKURAHBFUMX-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.96
Rot. Bonds6

About 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid

5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid (PubChem CID 69114760) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid.

Molecular Properties

Compound Name5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid
PubChem CID69114760
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid
SMILESCCCOc1ccc(-c2cccc(C(C)C)c2)cc1C(=O)O
InChIInChI=1S/C19H22O3/c1-4-10-22-18-9-8-16(12-17(18)19(20)21)15-7-5-6-14(11-15)13(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,20,21)
InChIKeyHPFCKURAHBFUMX-UHFFFAOYSA-N
XLogP4.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-cyanophenyl)-2-propoxybenzoic acid
CID 69110749
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
5-(3-chloro-4-fluorophenyl)-2-propoxybenzoic acid
CID 69110744
2-(5-propan-2-yl-2-propoxyphenyl)acetic acid
CID 82054018
5-iodo-2-propoxybenzoic acid
CID 10804556
4-[3-(methylamino)-4-propoxyphenyl]-2-propan-2-ylbenzoic acid
CID 142932415
5-phenyl-2-propan-2-yloxybenzoic acid
CID 83969126
2-propan-2-yl-5-propoxypyridine-4-carboxylic acid
CID 132588861
2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
CID 71083072
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]-2-propoxybenzoic acid
CID 69053851
2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid
CID 132588947
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid?
The IUPAC name of 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid (CID 69114760) is 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid.
What is the SMILES notation for 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid?
The canonical SMILES for 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid is CCCOc1ccc(-c2cccc(C(C)C)c2)cc1C(=O)O.
What is the InChIKey of 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid?
The InChIKey is HPFCKURAHBFUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-4-10-22-18-9-8-16(12-17(18)19(20)21)15-7-5-6-14(11-15)13(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,20,21).
What are the key properties of 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid?
5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid is sourced from PubChem (CID 69114760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).