2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid

C18H18O3 — CID 67119146

IUPAC2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccc(O)cc2)c(C2CC2)c1
InChIInChI=1S/C18H18O3/c1-11(18(20)21)14-6-9-16(17(10-14)13-2-3-13)12-4-7-15(19)8-5-12/h4-11,13,19H,2-3H2,1H3,(H,20,21)
InChIKeyMXXCXQLYDUOEFL-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.12
Rot. Bonds4

About 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid

2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid (PubChem CID 67119146) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid
PubChem CID67119146
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccc(O)cc2)c(C2CC2)c1
InChIInChI=1S/C18H18O3/c1-11(18(20)21)14-6-9-16(17(10-14)13-2-3-13)12-4-7-15(19)8-5-12/h4-11,13,19H,2-3H2,1H3,(H,20,21)
InChIKeyMXXCXQLYDUOEFL-UHFFFAOYSA-N
XLogP4.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid (CID 67119146) is 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(-c2ccc(O)cc2)c(C2CC2)c1.
What is the InChIKey of 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid?
The InChIKey is MXXCXQLYDUOEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-11(18(20)21)14-6-9-16(17(10-14)13-2-3-13)12-4-7-15(19)8-5-12/h4-11,13,19H,2-3H2,1H3,(H,20,21).
What are the key properties of 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid?
2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid has a molecular weight of 282.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 67119146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).