[3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol

C17H27NO3 — CID 64534335

IUPAC[3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCC1CN(C(C)C)CCO1
InChIInChI=1S/C17H27NO3/c1-12(2)18-5-6-20-16(9-18)11-21-17-13(3)7-15(10-19)8-14(17)4/h7-8,12,16,19H,5-6,9-11H2,1-4H3
InChIKeyQFBNNGKCWBJGSY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.28
Rot. Bonds5

About [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol

[3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol (PubChem CID 64534335) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
PubChem CID64534335
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCC1CN(C(C)C)CCO1
InChIInChI=1S/C17H27NO3/c1-12(2)18-5-6-20-16(9-18)11-21-17-13(3)7-15(10-19)8-14(17)4/h7-8,12,16,19H,5-6,9-11H2,1-4H3
InChIKeyQFBNNGKCWBJGSY-UHFFFAOYSA-N
XLogP2.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol (CID 64534335) is [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol is Cc1cc(CO)cc(C)c1OCC1CN(C(C)C)CCO1.
What is the InChIKey of [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol?
The InChIKey is QFBNNGKCWBJGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)18-5-6-20-16(9-18)11-21-17-13(3)7-15(10-19)8-14(17)4/h7-8,12,16,19H,5-6,9-11H2,1-4H3.
What are the key properties of [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol?
[3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 64534335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).