3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol

C14H17NO3 — CID 154177755

IUPAC3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol
SMILESCc1c(O)oc2cc(CN3CCOCC3)ccc12
InChIInChI=1S/C14H17NO3/c1-10-12-3-2-11(8-13(12)18-14(10)16)9-15-4-6-17-7-5-15/h2-3,8,16H,4-7,9H2,1H3
InChIKeyBUNLXJRMWHULKQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.28
Rot. Bonds2

About 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol

3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol (PubChem CID 154177755) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol.

Molecular Properties

Compound Name3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol
PubChem CID154177755
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol
SMILESCc1c(O)oc2cc(CN3CCOCC3)ccc12
InChIInChI=1S/C14H17NO3/c1-10-12-3-2-11(8-13(12)18-14(10)16)9-15-4-6-17-7-5-15/h2-3,8,16H,4-7,9H2,1H3
InChIKeyBUNLXJRMWHULKQ-UHFFFAOYSA-N
XLogP2.28
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71052307
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CID 178059917
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
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ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 24549586
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol?
The IUPAC name of 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol (CID 154177755) is 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol.
What is the SMILES notation for 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol?
The canonical SMILES for 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol is Cc1c(O)oc2cc(CN3CCOCC3)ccc12.
What is the InChIKey of 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol?
The InChIKey is BUNLXJRMWHULKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-12-3-2-11(8-13(12)18-14(10)16)9-15-4-6-17-7-5-15/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol?
3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol has a molecular weight of 247.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(morpholin-4-ylmethyl)-1-benzofuran-2-ol is sourced from PubChem (CID 154177755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).