2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol

C14H21NO3 — CID 82977456

IUPAC2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol
SMILESCOc1cc(C(C)N2CCOCC2C)ccc1O
InChIInChI=1S/C14H21NO3/c1-10-9-18-7-6-15(10)11(2)12-4-5-13(16)14(8-12)17-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyFCKJDWQHJYNTHJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.18
Rot. Bonds3

About 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol

2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol (PubChem CID 82977456) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol
PubChem CID82977456
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol
SMILESCOc1cc(C(C)N2CCOCC2C)ccc1O
InChIInChI=1S/C14H21NO3/c1-10-9-18-7-6-15(10)11(2)12-4-5-13(16)14(8-12)17-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyFCKJDWQHJYNTHJ-UHFFFAOYSA-N
XLogP2.18
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
CID 82986575
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
CID 113284221
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978311
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
CID 82983373
2-methoxy-4-[5-[(3-methylmorpholin-4-yl)methyl]-3-thia-1-azabicyclo[3.1.0]hexan-2-yl]phenol
CID 139440658
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
[(3R,4R)-4-(4-hydroxy-3-methoxybenzoyl)oxolan-3-yl]-(4-propan-2-ylphenyl)methanone
CID 71608170

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol (CID 82977456) is 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol is COc1cc(C(C)N2CCOCC2C)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol?
The InChIKey is FCKJDWQHJYNTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-9-18-7-6-15(10)11(2)12-4-5-13(16)14(8-12)17-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol?
2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol has a molecular weight of 251.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol is sourced from PubChem (CID 82977456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).