3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

C15H23NO4 — CID 82187476

IUPAC3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)OC(C)(C)C(N(C)CCO)C2O
InChIInChI=1S/C15H23NO4/c1-15(2)14(16(3)7-8-17)13(18)11-6-5-10(19-4)9-12(11)20-15/h5-6,9,13-14,17-18H,7-8H2,1-4H3
InChIKeyRTOLVXHKRIUZJO-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.19
Rot. Bonds4

About 3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 82187476) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID82187476
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOc1ccc2c(c1)OC(C)(C)C(N(C)CCO)C2O
InChIInChI=1S/C15H23NO4/c1-15(2)14(16(3)7-8-17)13(18)11-6-5-10(19-4)9-12(11)20-15/h5-6,9,13-14,17-18H,7-8H2,1-4H3
InChIKeyRTOLVXHKRIUZJO-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]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187507
3-(dipropylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187449
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
7-methoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
CID 82187477
3-amino-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020765
2-[4-(7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethanol
CID 21155263
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104948574
3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187377
(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]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 82187476) is 3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is COc1ccc2c(c1)OC(C)(C)C(N(C)CCO)C2O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is RTOLVXHKRIUZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2)14(16(3)7-8-17)13(18)11-6-5-10(19-4)9-12(11)20-15/h5-6,9,13-14,17-18H,7-8H2,1-4H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
3-[2-hydroxyethyl(methyl)amino]-7-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]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).