(5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol

C12H16BrNO2 — CID 168513454

IUPAC(5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol
SMILESCOc1cc(Br)cc(CO)c1N1CCCC1
InChIInChI=1S/C12H16BrNO2/c1-16-11-7-10(13)6-9(8-15)12(11)14-4-2-3-5-14/h6-7,15H,2-5,8H2,1H3
InChIKeyLIPMKQQYOMPQNC-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.55
Rot. Bonds3

About (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol

(5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol (PubChem CID 168513454) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol
PubChem CID168513454
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name(5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol
SMILESCOc1cc(Br)cc(CO)c1N1CCCC1
InChIInChI=1S/C12H16BrNO2/c1-16-11-7-10(13)6-9(8-15)12(11)14-4-2-3-5-14/h6-7,15H,2-5,8H2,1H3
InChIKeyLIPMKQQYOMPQNC-UHFFFAOYSA-N
XLogP2.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(hydroxymethyl)-6-methoxyphenyl]isoindole-1,3-dione
CID 168517518
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
3,5-dimethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 101437500
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate
CID 168513456
2-(4-bromo-2-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 155293571
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
(5-bromo-7-methoxy-1H-indol-3-yl)methanol
CID 130049828
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol?
The IUPAC name of (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol (CID 168513454) is (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol.
What is the SMILES notation for (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol?
The canonical SMILES for (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol is COc1cc(Br)cc(CO)c1N1CCCC1.
What is the InChIKey of (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol?
The InChIKey is LIPMKQQYOMPQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-11-7-10(13)6-9(8-15)12(11)14-4-2-3-5-14/h6-7,15H,2-5,8H2,1H3.
What are the key properties of (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol?
(5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol has a molecular weight of 286.17 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methoxy-2-pyrrolidin-1-ylphenyl)methanol is sourced from PubChem (CID 168513454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).