3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

C15H23NO4 — CID 82187420

IUPAC3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOc1cccc2c1OC(C)(C)C(N(C)CCO)C2O
InChIInChI=1S/C15H23NO4/c1-15(2)14(16(3)8-9-17)12(18)10-6-5-7-11(19-4)13(10)20-15/h5-7,12,14,17-18H,8-9H2,1-4H3
InChIKeyXLHYTFCMOKTKNH-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.19
Rot. Bonds4

About 3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol

3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 82187420) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID82187420
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCOc1cccc2c1OC(C)(C)C(N(C)CCO)C2O
InChIInChI=1S/C15H23NO4/c1-15(2)14(16(3)8-9-17)12(18)10-6-5-7-11(19-4)13(10)20-15/h5-7,12,14,17-18H,8-9H2,1-4H3
InChIKeyXLHYTFCMOKTKNH-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]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187507
3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol
CID 82187228
3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol
CID 82187288
3-[2-hydroxyethyl(methyl)amino]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187476
2-[(8-ethoxy-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)-methylamino]acetic acid
CID 82187433
2-[(4-hydroxy-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-3-yl)-methylamino]acetic acid
CID 82187227
3-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187052
N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696643
(4aS,10bS)-7-methoxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 101012026
2-[(4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl)-methylamino]acetic acid
CID 82187158
10-ethyl-6-methoxy-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione
CID 106460852
3-[butyl(methyl)amino]-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187377

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 82187420) is 3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is COc1cccc2c1OC(C)(C)C(N(C)CCO)C2O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is XLHYTFCMOKTKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2)14(16(3)8-9-17)12(18)10-6-5-7-11(19-4)13(10)20-15/h5-7,12,14,17-18H,8-9H2,1-4H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol?
3-[2-hydroxyethyl(methyl)amino]-8-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]-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).