6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol

C17H25NO4 — CID 82187460

IUPAC6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
SMILESCCOc1ccc2c(c1)C(O)C(N1CCOCC1)C(C)(C)O2
InChIInChI=1S/C17H25NO4/c1-4-21-12-5-6-14-13(11-12)15(19)16(17(2,3)22-14)18-7-9-20-10-8-18/h5-6,11,15-16,19H,4,7-10H2,1-3H3
InChIKeyLKDQGTARQXYPTN-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.99
Rot. Bonds3

About 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol

6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol (PubChem CID 82187460) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
PubChem CID82187460
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
SMILESCCOc1ccc2c(c1)C(O)C(N1CCOCC1)C(C)(C)O2
InChIInChI=1S/C17H25NO4/c1-4-21-12-5-6-14-13(11-12)15(19)16(17(2,3)22-14)18-7-9-20-10-8-18/h5-6,11,15-16,19H,4,7-10H2,1-3H3
InChIKeyLKDQGTARQXYPTN-UHFFFAOYSA-N
XLogP1.99
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol?
The IUPAC name of 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol (CID 82187460) is 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol is CCOc1ccc2c(c1)C(O)C(N1CCOCC1)C(C)(C)O2.
What is the InChIKey of 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol?
The InChIKey is LKDQGTARQXYPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-21-12-5-6-14-13(11-12)15(19)16(17(2,3)22-14)18-7-9-20-10-8-18/h5-6,11,15-16,19H,4,7-10H2,1-3H3.
What are the key properties of 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol?
6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol has a molecular weight of 307.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).