3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid

C17H18O4 — CID 19594924

IUPAC3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
SMILESCOc1cccc(C(=O)O)c1-c1ccccc1OC(C)C
InChIInChI=1S/C17H18O4/c1-11(2)21-14-9-5-4-7-12(14)16-13(17(18)19)8-6-10-15(16)20-3/h4-11H,1-3H3,(H,18,19)
InChIKeyWVBRNOJPPJUDNV-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.85
Rot. Bonds5

About 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid

3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid (PubChem CID 19594924) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
PubChem CID19594924
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
SMILESCOc1cccc(C(=O)O)c1-c1ccccc1OC(C)C
InChIInChI=1S/C17H18O4/c1-11(2)21-14-9-5-4-7-12(14)16-13(17(18)19)8-6-10-15(16)20-3/h4-11H,1-3H3,(H,18,19)
InChIKeyWVBRNOJPPJUDNV-UHFFFAOYSA-N
XLogP3.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
phenyl hydrogen carbonate;2-propan-2-yloxybenzoic acid
CID 66628962
2-(1-carboxyethyl)-3-methoxybenzoic acid
CID 12962431
3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
N,N-difluoro-3-methoxy-2-(2-propan-2-ylphenyl)benzamide
CID 57032986
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
2-(3-chloro-2-methoxyanilino)-3-propan-2-yloxybenzoic acid
CID 155297697

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid?
The IUPAC name of 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid (CID 19594924) is 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid.
What is the SMILES notation for 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid?
The canonical SMILES for 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid is COc1cccc(C(=O)O)c1-c1ccccc1OC(C)C.
What is the InChIKey of 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid?
The InChIKey is WVBRNOJPPJUDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11(2)21-14-9-5-4-7-12(14)16-13(17(18)19)8-6-10-15(16)20-3/h4-11H,1-3H3,(H,18,19).
What are the key properties of 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid?
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid is sourced from PubChem (CID 19594924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).