3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol

C16H25NO3 — CID 82187288

IUPAC3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol
SMILESCc1ccc2c(c1C)OC(C)(C)C(N(C)CCO)C2O
InChIInChI=1S/C16H25NO3/c1-10-6-7-12-13(19)15(17(5)8-9-18)16(3,4)20-14(12)11(10)2/h6-7,13,15,18-19H,8-9H2,1-5H3
InChIKeyVWMFDDFWHPJKDM-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.80
Rot. Bonds3

About 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol

3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol (PubChem CID 82187288) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol
PubChem CID82187288
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol
SMILESCc1ccc2c(c1C)OC(C)(C)C(N(C)CCO)C2O
InChIInChI=1S/C16H25NO3/c1-10-6-7-12-13(19)15(17(5)8-9-18)16(3,4)20-14(12)11(10)2/h6-7,13,15,18-19H,8-9H2,1-5H3
InChIKeyVWMFDDFWHPJKDM-UHFFFAOYSA-N
XLogP1.80
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol (CID 82187288) is 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol is Cc1ccc2c(c1C)OC(C)(C)C(N(C)CCO)C2O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol?
The InChIKey is VWMFDDFWHPJKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-10-6-7-12-13(19)15(17(5)8-9-18)16(3,4)20-14(12)11(10)2/h6-7,13,15,18-19H,8-9H2,1-5H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol?
3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol has a molecular weight of 279.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).