(4-bromo-2-pyrrolidin-1-ylphenyl)methanol

C11H14BrNO — CID 43174070

IUPAC(4-bromo-2-pyrrolidin-1-ylphenyl)methanol
SMILESOCc1ccc(Br)cc1N1CCCC1
InChIInChI=1S/C11H14BrNO/c12-10-4-3-9(8-14)11(7-10)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
InChIKeyWVZDGXCNAVGKBY-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.54
Rot. Bonds2

About (4-bromo-2-pyrrolidin-1-ylphenyl)methanol

(4-bromo-2-pyrrolidin-1-ylphenyl)methanol (PubChem CID 43174070) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (4-bromo-2-pyrrolidin-1-ylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-pyrrolidin-1-ylphenyl)methanol
PubChem CID43174070
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(4-bromo-2-pyrrolidin-1-ylphenyl)methanol
SMILESOCc1ccc(Br)cc1N1CCCC1
InChIInChI=1S/C11H14BrNO/c12-10-4-3-9(8-14)11(7-10)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
InChIKeyWVZDGXCNAVGKBY-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-pyrrolidin-1-ylphenyl)methanol?
The IUPAC name of (4-bromo-2-pyrrolidin-1-ylphenyl)methanol (CID 43174070) is (4-bromo-2-pyrrolidin-1-ylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-pyrrolidin-1-ylphenyl)methanol?
The canonical SMILES for (4-bromo-2-pyrrolidin-1-ylphenyl)methanol is OCc1ccc(Br)cc1N1CCCC1.
What is the InChIKey of (4-bromo-2-pyrrolidin-1-ylphenyl)methanol?
The InChIKey is WVZDGXCNAVGKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-4-3-9(8-14)11(7-10)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2.
What are the key properties of (4-bromo-2-pyrrolidin-1-ylphenyl)methanol?
(4-bromo-2-pyrrolidin-1-ylphenyl)methanol has a molecular weight of 256.14 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-pyrrolidin-1-ylphenyl)methanol is sourced from PubChem (CID 43174070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).