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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Related Compounds

3,4,4a,10b-tetrahydro-4-propyl-2H,5H-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol, (+)-
CID 5117
PD 128907
CID 115107
(4aR,10bR)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol
CID 5311346
(4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol hydrochloride
CID 11957668
(cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol
CID 44329754
(2,5-Dimethoxyphenyl)(2-piperidinyl)methanol
CID 23723170
6-hydroxy-3,4-dihydro-3-(dipropylamino)-2H-1-benzopyran
CID 86146
1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-6-ol
CID 10243700
2H-[1]Benzopyrano[3,4-b]pyridin-7-ol, 1,3,4,4a,5,10b-hexahydro-4-propyl-, trans-
CID 14151647
(4aS,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14151657
4-Methyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol
CID 14151698
1-Propyl-2,3,10,10a-tetrahydro-1H-9-oxa-1-aza-phenanthren-6-ol
CID 14151702

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).