3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

C15H23NO4 — CID 82187507

IUPAC3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOc1cccc2c1C(O)C(N(C)CCO)C(C)(C)O2
InChIInChI=1S/C15H23NO4/c1-15(2)14(16(3)8-9-17)13(18)12-10(19-4)6-5-7-11(12)20-15/h5-7,13-14,17-18H,8-9H2,1-4H3
InChIKeyCCEPLDUKPFVMNM-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.19
Rot. Bonds4

About 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 82187507) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID82187507
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOc1cccc2c1C(O)C(N(C)CCO)C(C)(C)O2
InChIInChI=1S/C15H23NO4/c1-15(2)14(16(3)8-9-17)13(18)12-10(19-4)6-5-7-11(12)20-15/h5-7,13-14,17-18H,8-9H2,1-4H3
InChIKeyCCEPLDUKPFVMNM-UHFFFAOYSA-N
XLogP1.19
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187420
3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187476
5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol
CID 82187518
3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol
CID 82187288
3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol
CID 82187228
2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)-methylamino]acetic acid
CID 82187158
(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
CID 12996468
(1'aR,2'R,7'aR)-3'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,7'-2,7a-dihydro-1aH-naphtho[2,3-b]oxirene]-2'-ol
CID 10545650
(6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
CID 122380336
3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187377
3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187449
(3S,4R)-3-bromo-6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14561850

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 82187507) is 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is COc1cccc2c1C(O)C(N(C)CCO)C(C)(C)O2.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is CCEPLDUKPFVMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2)14(16(3)8-9-17)13(18)12-10(19-4)6-5-7-11(12)20-15/h5-7,13-14,17-18H,8-9H2,1-4H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 281.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).