1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid

C12H14O4 — CID 117317655

IUPAC1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(OCCO)cc2)CC1
InChIInChI=1S/C12H14O4/c13-7-8-16-10-3-1-9(2-4-10)12(5-6-12)11(14)15/h1-4,13H,5-8H2,(H,14,15)
InChIKeyMTVUUTHDNKGRHT-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.17
Rot. Bonds5

About 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid

1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117317655) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117317655
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(OCCO)cc2)CC1
InChIInChI=1S/C12H14O4/c13-7-8-16-10-3-1-9(2-4-10)12(5-6-12)11(14)15/h1-4,13H,5-8H2,(H,14,15)
InChIKeyMTVUUTHDNKGRHT-UHFFFAOYSA-N
XLogP1.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid (CID 117317655) is 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(OCCO)cc2)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MTVUUTHDNKGRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-7-8-16-10-3-1-9(2-4-10)12(5-6-12)11(14)15/h1-4,13H,5-8H2,(H,14,15).
What are the key properties of 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117317655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).