(2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate

C17H24O3 — CID 176951971

IUPAC(2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate
SMILESCc1c(C)c2c(c(C)c1OC(=O)C(C)C)CCC(C)O2
InChIInChI=1S/C17H24O3/c1-9(2)17(18)20-15-11(4)12(5)16-14(13(15)6)8-7-10(3)19-16/h9-10H,7-8H2,1-6H3
InChIKeyGZIMHVADFKNQFR-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.89
Rot. Bonds2

About (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate

(2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate (PubChem CID 176951971) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate
PubChem CID176951971
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate
SMILESCc1c(C)c2c(c(C)c1OC(=O)C(C)C)CCC(C)O2
InChIInChI=1S/C17H24O3/c1-9(2)17(18)20-15-11(4)12(5)16-14(13(15)6)8-7-10(3)19-16/h9-10H,7-8H2,1-6H3
InChIKeyGZIMHVADFKNQFR-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-(methoxymethoxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene
CID 172845448
(2S)-6-ethenoxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene
CID 155713423
2,5,7,8-tetramethyl-6-(5-methylhex-5-enoxy)-3,4-dihydro-2H-chromene
CID 142338753
(2S)-2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-chromene
CID 70422364
2-methyl-4-[[(2R)-5,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl]oxy]butanoic acid
CID 20632879
ethane;(2,5,8-trimethyl-3,4-dihydro-2H-chromen-6-yl) acetate;2,6,10-trimethyltridecane
CID 178009838
14-hydroxy-6,6,9,13,15,16-hexamethyl-2,8-dioxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-7-one
CID 10427018
[2-(bromomethyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl] acetate
CID 14856379
3-butan-2-yloxy-2-(6-methoxy-5,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl)-2-methyl-3-oxopropanoic acid
CID 70417090
2,5,8-trimethyl-3,4-dihydro-2H-chromene
CID 167473800
4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzoic acid;2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-ol
CID 22220884
[5,7,8-trimethyl-2-[(4-methylquinolin-2-yl)carbamoyl]-3,4-dihydro-2H-chromen-6-yl] acetate
CID 19024111

Frequently Asked Questions

What is the IUPAC name of (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate?
The IUPAC name of (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate (CID 176951971) is (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate.
What is the SMILES notation for (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate?
The canonical SMILES for (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate is Cc1c(C)c2c(c(C)c1OC(=O)C(C)C)CCC(C)O2.
What is the InChIKey of (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate?
The InChIKey is GZIMHVADFKNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-9(2)17(18)20-15-11(4)12(5)16-14(13(15)6)8-7-10(3)19-16/h9-10H,7-8H2,1-6H3.
What are the key properties of (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate?
(2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate has a molecular weight of 276.38 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-6-yl) 2-methylpropanoate is sourced from PubChem (CID 176951971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).