1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol

C17H21NO3 — CID 45250649

IUPAC1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol
SMILESCc1ccc(-c2ccc(C(O)CN3CCOCC3)cc2)o1
InChIInChI=1S/C17H21NO3/c1-13-2-7-17(21-13)15-5-3-14(4-6-15)16(19)12-18-8-10-20-11-9-18/h2-7,16,19H,8-12H2,1H3
InChIKeyOFPOILSLPARDIW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds4

About 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol

1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol (PubChem CID 45250649) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol
PubChem CID45250649
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol
SMILESCc1ccc(-c2ccc(C(O)CN3CCOCC3)cc2)o1
InChIInChI=1S/C17H21NO3/c1-13-2-7-17(21-13)15-5-3-14(4-6-15)16(19)12-18-8-10-20-11-9-18/h2-7,16,19H,8-12H2,1H3
InChIKeyOFPOILSLPARDIW-UHFFFAOYSA-N
XLogP2.62
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol
CID 39804559
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol
CID 126432061
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
CID 43288546
3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid
CID 125445930
(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 95125897
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 1229946
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
(1R)-2-morpholin-4-yl-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethanol
CID 126434347

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol?
The IUPAC name of 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol (CID 45250649) is 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol.
What is the SMILES notation for 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol?
The canonical SMILES for 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol is Cc1ccc(-c2ccc(C(O)CN3CCOCC3)cc2)o1.
What is the InChIKey of 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol?
The InChIKey is OFPOILSLPARDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-2-7-17(21-13)15-5-3-14(4-6-15)16(19)12-18-8-10-20-11-9-18/h2-7,16,19H,8-12H2,1H3.
What are the key properties of 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol?
1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol has a molecular weight of 287.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 45250649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).