3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid

C11H11ClO3 — CID 80502464

IUPAC3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(O)(c2cccc(Cl)c2)C1
InChIInChI=1S/C11H11ClO3/c12-9-3-1-2-8(4-9)11(15)5-7(6-11)10(13)14/h1-4,7,15H,5-6H2,(H,13,14)
InChIKeyLGWVSOMBBQKEAS-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.02
Rot. Bonds2

About 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid

3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 80502464) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID80502464
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(O)(c2cccc(Cl)c2)C1
InChIInChI=1S/C11H11ClO3/c12-9-3-1-2-8(4-9)11(15)5-7(6-11)10(13)14/h1-4,7,15H,5-6H2,(H,13,14)
InChIKeyLGWVSOMBBQKEAS-UHFFFAOYSA-N
XLogP2.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid (CID 80502464) is 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid is O=C(O)C1CC(O)(c2cccc(Cl)c2)C1.
What is the InChIKey of 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is LGWVSOMBBQKEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-9-3-1-2-8(4-9)11(15)5-7(6-11)10(13)14/h1-4,7,15H,5-6H2,(H,13,14).
What are the key properties of 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 80502464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).