1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol

C16H25NO5 — CID 2769761

IUPAC1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(COCC(O)CN2CCOCC2)cc1OC
InChIInChI=1S/C16H25NO5/c1-19-15-4-3-13(9-16(15)20-2)11-22-12-14(18)10-17-5-7-21-8-6-17/h3-4,9,14,18H,5-8,10-12H2,1-2H3
InChIKeyMABSQKAHKUSDJJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.91
Rot. Bonds8

About 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol

1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 2769761) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID2769761
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(COCC(O)CN2CCOCC2)cc1OC
InChIInChI=1S/C16H25NO5/c1-19-15-4-3-13(9-16(15)20-2)11-22-12-14(18)10-17-5-7-21-8-6-17/h3-4,9,14,18H,5-8,10-12H2,1-2H3
InChIKeyMABSQKAHKUSDJJ-UHFFFAOYSA-N
XLogP0.91
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7329897
1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537339
1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341
ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate
CID 1039020
(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269962
1-[4-(ethylaminomethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45240559
(2S)-1-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280044
1-[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72853462
1-[(2S)-2-hydroxy-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-ol
CID 97277352
(2R)-1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 26405119
N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide
CID 24574365
1-[2-methoxy-4-(1,2-oxazolidin-2-ylmethyl)phenoxy]-3-(1,4-oxazepan-4-yl)propan-2-ol
CID 176504622

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol (CID 2769761) is 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol is COc1ccc(COCC(O)CN2CCOCC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is MABSQKAHKUSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c1-19-15-4-3-13(9-16(15)20-2)11-22-12-14(18)10-17-5-7-21-8-6-17/h3-4,9,14,18H,5-8,10-12H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol?
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 311.38 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 2769761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).