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

C17H27NO3 — CID 82187228

IUPAC3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol
SMILESCC(C)c1cccc2c1OC(C)(C)C(N(C)CCO)C2O
InChIInChI=1S/C17H27NO3/c1-11(2)12-7-6-8-13-14(20)16(18(5)9-10-19)17(3,4)21-15(12)13/h6-8,11,14,16,19-20H,9-10H2,1-5H3
InChIKeyFGZALRGLEVDRNI-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.31
Rot. Bonds4

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

3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol (PubChem CID 82187228) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol
PubChem CID82187228
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol
SMILESCC(C)c1cccc2c1OC(C)(C)C(N(C)CCO)C2O
InChIInChI=1S/C17H27NO3/c1-11(2)12-7-6-8-13-14(20)16(18(5)9-10-19)17(3,4)21-15(12)13/h6-8,11,14,16,19-20H,9-10H2,1-5H3
InChIKeyFGZALRGLEVDRNI-UHFFFAOYSA-N
XLogP2.31
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.31
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-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol (CID 82187228) is 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol is CC(C)c1cccc2c1OC(C)(C)C(N(C)CCO)C2O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol?
The InChIKey is FGZALRGLEVDRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11(2)12-7-6-8-13-14(20)16(18(5)9-10-19)17(3,4)21-15(12)13/h6-8,11,14,16,19-20H,9-10H2,1-5H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol?
3-[2-hydroxyethyl(methyl)amino]-2,2-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol has a molecular weight of 293.41 g/mol, XLogP of 2.31, 4 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-dimethyl-8-propan-2-yl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).