1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid

C11H11BrO3 — CID 58216595

IUPAC1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Br)cc2)CC(O)C1
InChIInChI=1S/C11H11BrO3/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyDIFJFJOUEOLYGY-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.93
Rot. Bonds2

About 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid

1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 58216595) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID58216595
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(Br)cc2)CC(O)C1
InChIInChI=1S/C11H11BrO3/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyDIFJFJOUEOLYGY-UHFFFAOYSA-N
XLogP1.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid (CID 58216595) is 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc(Br)cc2)CC(O)C1.
What is the InChIKey of 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is DIFJFJOUEOLYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,9,13H,5-6H2,(H,14,15).
What are the key properties of 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 271.11 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 58216595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).