1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol

C14H21NO4 — CID 81466199

IUPAC1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol
SMILESCOc1ccc(C(O)CC2COCCN2)cc1OC
InChIInChI=1S/C14H21NO4/c1-17-13-4-3-10(7-14(13)18-2)12(16)8-11-9-19-6-5-15-11/h3-4,7,11-12,15-16H,5-6,8-9H2,1-2H3
InChIKeyDARVZAIORBPPES-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.12
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol

1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol (PubChem CID 81466199) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol
PubChem CID81466199
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol
SMILESCOc1ccc(C(O)CC2COCCN2)cc1OC
InChIInChI=1S/C14H21NO4/c1-17-13-4-3-10(7-14(13)18-2)12(16)8-11-9-19-6-5-15-11/h3-4,7,11-12,15-16H,5-6,8-9H2,1-2H3
InChIKeyDARVZAIORBPPES-UHFFFAOYSA-N
XLogP1.12
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-2-morpholin-3-ylethanol
CID 81466986
1-(4-bromophenyl)-2-morpholin-3-ylethanol
CID 81466682
1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol
CID 81465901
1-(2,5-dimethoxyphenyl)-2-morpholin-3-ylethanamine
CID 116941470
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
1-(4-methoxy-2,3-dimethylphenyl)-2-morpholin-3-ylethanamine
CID 116941505
1-(3,4-dimethoxyphenyl)-2-(oxolan-3-yloxy)ethanol
CID 63558688
1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685577
3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
CID 117034352
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol (CID 81466199) is 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol is COc1ccc(C(O)CC2COCCN2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol?
The InChIKey is DARVZAIORBPPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-13-4-3-10(7-14(13)18-2)12(16)8-11-9-19-6-5-15-11/h3-4,7,11-12,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol?
1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol has a molecular weight of 267.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol is sourced from PubChem (CID 81466199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).