4-[(3-methylmorpholin-4-yl)methyl]phenol

C12H17NO2 — CID 82972800

IUPAC4-[(3-methylmorpholin-4-yl)methyl]phenol
SMILESCC1COCCN1Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-10-9-15-7-6-13(10)8-11-2-4-12(14)5-3-11/h2-5,10,14H,6-9H2,1H3
InChIKeyDBMKQFWRDHFUSJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.61
Rot. Bonds2

About 4-[(3-methylmorpholin-4-yl)methyl]phenol

4-[(3-methylmorpholin-4-yl)methyl]phenol (PubChem CID 82972800) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(3-methylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3-methylmorpholin-4-yl)methyl]phenol
PubChem CID82972800
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(3-methylmorpholin-4-yl)methyl]phenol
SMILESCC1COCCN1Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-10-9-15-7-6-13(10)8-11-2-4-12(14)5-3-11/h2-5,10,14H,6-9H2,1H3
InChIKeyDBMKQFWRDHFUSJ-UHFFFAOYSA-N
XLogP1.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
CID 67042011
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63574051
[2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol
CID 175037646
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
4-[[4-[4-(chloromethyl)-5-methyl-1,3-thiazol-2-yl]phenyl]methyl]-3-methylmorpholine
CID 175037680
3-[(3-methylmorpholin-4-yl)methyl]benzonitrile
CID 43429112
4-[(3-methylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 63882280
2-amino-3-(4-hydroxyphenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774255
N-methyl-4-[(3-methylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182937
5-chloro-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62892343

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 4-[(3-methylmorpholin-4-yl)methyl]phenol (CID 82972800) is 4-[(3-methylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(3-methylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 4-[(3-methylmorpholin-4-yl)methyl]phenol is CC1COCCN1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(3-methylmorpholin-4-yl)methyl]phenol?
The InChIKey is DBMKQFWRDHFUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-9-15-7-6-13(10)8-11-2-4-12(14)5-3-11/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 4-[(3-methylmorpholin-4-yl)methyl]phenol?
4-[(3-methylmorpholin-4-yl)methyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 82972800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).