(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol

C12H12BrNO2 — CID 115369760

IUPAC(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1ccc[nH]1
InChIInChI=1S/C12H12BrNO2/c1-16-11-7-8(13)4-5-9(11)12(15)10-3-2-6-14-10/h2-7,12,14-15H,1H3
InChIKeyOQAAOOAFRCXOPT-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.87
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol

(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol (PubChem CID 115369760) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol
PubChem CID115369760
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1ccc[nH]1
InChIInChI=1S/C12H12BrNO2/c1-16-11-7-8(13)4-5-9(11)12(15)10-3-2-6-14-10/h2-7,12,14-15H,1H3
InChIKeyOQAAOOAFRCXOPT-UHFFFAOYSA-N
XLogP2.87
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 115369724
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
CID 115369767
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol (CID 115369760) is (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol is COc1cc(Br)ccc1C(O)c1ccc[nH]1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol?
The InChIKey is OQAAOOAFRCXOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-16-11-7-8(13)4-5-9(11)12(15)10-3-2-6-14-10/h2-7,12,14-15H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol?
(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol has a molecular weight of 282.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 115369760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).