2-[(4-bromophenoxy)methyl]-1H-pyrrole

C11H10BrNO — CID 141376991

IUPAC2-[(4-bromophenoxy)methyl]-1H-pyrrole
SMILESBrc1ccc(OCc2ccc[nH]2)cc1
InChIInChI=1S/C11H10BrNO/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h1-7,13H,8H2
InChIKeyBLIBMWOVROWBPD-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.36
Rot. Bonds3

About 2-[(4-bromophenoxy)methyl]-1H-pyrrole

2-[(4-bromophenoxy)methyl]-1H-pyrrole (PubChem CID 141376991) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-[(4-bromophenoxy)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(4-bromophenoxy)methyl]-1H-pyrrole
PubChem CID141376991
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name2-[(4-bromophenoxy)methyl]-1H-pyrrole
SMILESBrc1ccc(OCc2ccc[nH]2)cc1
InChIInChI=1S/C11H10BrNO/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h1-7,13H,8H2
InChIKeyBLIBMWOVROWBPD-UHFFFAOYSA-N
XLogP3.36
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-iodophenoxy)methyl]-1H-pyrrole
CID 141172511
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CID 925892
CID 59348799
CID 59348799
3-[(4-bromophenoxy)methyl]-1H-indol-4-amine
CID 117171390
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
1-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
2-[(4-bromophenoxy)methyl]-6-chloropyridine
CID 79240676
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
5-[2-(4-bromophenoxy)ethoxy]-1H-indole
CID 80640825
1-bromo-4-phenylmethoxybenzene;oxolane
CID 175495084

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenoxy)methyl]-1H-pyrrole?
The IUPAC name of 2-[(4-bromophenoxy)methyl]-1H-pyrrole (CID 141376991) is 2-[(4-bromophenoxy)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(4-bromophenoxy)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(4-bromophenoxy)methyl]-1H-pyrrole is Brc1ccc(OCc2ccc[nH]2)cc1.
What is the InChIKey of 2-[(4-bromophenoxy)methyl]-1H-pyrrole?
The InChIKey is BLIBMWOVROWBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h1-7,13H,8H2.
What are the key properties of 2-[(4-bromophenoxy)methyl]-1H-pyrrole?
2-[(4-bromophenoxy)methyl]-1H-pyrrole has a molecular weight of 252.11 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenoxy)methyl]-1H-pyrrole is sourced from PubChem (CID 141376991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).