3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid

C13H16O3 — CID 117314089

IUPAC3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1cc(C(CC(=O)O)C2CC2)ccc1O
InChIInChI=1S/C13H16O3/c1-8-6-10(4-5-12(8)14)11(7-13(15)16)9-2-3-9/h4-6,9,11,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyLHYDQFWFOWJIET-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.67
Rot. Bonds4

About 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid

3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid (PubChem CID 117314089) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
PubChem CID117314089
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1cc(C(CC(=O)O)C2CC2)ccc1O
InChIInChI=1S/C13H16O3/c1-8-6-10(4-5-12(8)14)11(7-13(15)16)9-2-3-9/h4-6,9,11,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyLHYDQFWFOWJIET-UHFFFAOYSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 117383662
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
3-cyclopropyl-3-[3-(dimethylamino)-4-methylphenyl]propanoic acid
CID 117107841
3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117389808
3-cyclopropyl-3-(4-methyl-3-methylsulfonylphenyl)propanoic acid
CID 117453862
(1R,5R)-1,5-dicyclopropyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304311
3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 117495361
3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 82079052
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid (CID 117314089) is 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid is Cc1cc(C(CC(=O)O)C2CC2)ccc1O.
What is the InChIKey of 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid?
The InChIKey is LHYDQFWFOWJIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8-6-10(4-5-12(8)14)11(7-13(15)16)9-2-3-9/h4-6,9,11,14H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid?
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 117314089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).