[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol

C17H22N2O2 — CID 86803812

IUPAC[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol
SMILESCn1cccc1C1COCCN1Cc1ccc(CO)cc1
InChIInChI=1S/C17H22N2O2/c1-18-8-2-3-16(18)17-13-21-10-9-19(17)11-14-4-6-15(12-20)7-5-14/h2-8,17,20H,9-13H2,1H3
InChIKeyRJMJNGHTQDUSOV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.09
Rot. Bonds4

About [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol

[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol (PubChem CID 86803812) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol
PubChem CID86803812
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol
SMILESCn1cccc1C1COCCN1Cc1ccc(CO)cc1
InChIInChI=1S/C17H22N2O2/c1-18-8-2-3-16(18)17-13-21-10-9-19(17)11-14-4-6-15(12-20)7-5-14/h2-8,17,20H,9-13H2,1H3
InChIKeyRJMJNGHTQDUSOV-UHFFFAOYSA-N
XLogP2.09
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol (CID 86803812) is [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol is Cn1cccc1C1COCCN1Cc1ccc(CO)cc1.
What is the InChIKey of [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol?
The InChIKey is RJMJNGHTQDUSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-8-2-3-16(18)17-13-21-10-9-19(17)11-14-4-6-15(12-20)7-5-14/h2-8,17,20H,9-13H2,1H3.
What are the key properties of [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol?
[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol is sourced from PubChem (CID 86803812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).