3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid

C16H22O3 — CID 112512772

IUPAC3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
SMILESCc1cc(C(CC(=O)O)C2CC2)ccc1OC(C)C
InChIInChI=1S/C16H22O3/c1-10(2)19-15-7-6-13(8-11(15)3)14(9-16(17)18)12-4-5-12/h6-8,10,12,14H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyRGYKOYYYGVXBCP-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.75
Rot. Bonds6

About 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid

3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 112512772) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
PubChem CID112512772
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
SMILESCc1cc(C(CC(=O)O)C2CC2)ccc1OC(C)C
InChIInChI=1S/C16H22O3/c1-10(2)19-15-7-6-13(8-11(15)3)14(9-16(17)18)12-4-5-12/h6-8,10,12,14H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyRGYKOYYYGVXBCP-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 117495361
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
3-(methylamino)-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112518832
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclopropyl-3-[3-(dimethylamino)-4-methylphenyl]propanoic acid
CID 117107841
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
CID 112514675
3-cyclopropyl-3-(4-methyl-3-methylsulfonylphenyl)propanoic acid
CID 117453862
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid (CID 112512772) is 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid is Cc1cc(C(CC(=O)O)C2CC2)ccc1OC(C)C.
What is the InChIKey of 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is RGYKOYYYGVXBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10(2)19-15-7-6-13(8-11(15)3)14(9-16(17)18)12-4-5-12/h6-8,10,12,14H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid?
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 112512772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).