1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one

C16H22O3 — CID 145405922

IUPAC1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
SMILESCCC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C16H22O3/c1-6-13(17)16(5)8-7-12-11(4)14(18)9(2)10(3)15(12)19-16/h18H,6-8H2,1-5H3
InChIKeyBEJBTVICPIVQDV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.38
Rot. Bonds2

About 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one

1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one (PubChem CID 145405922) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
PubChem CID145405922
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
SMILESCCC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C16H22O3/c1-6-13(17)16(5)8-7-12-11(4)14(18)9(2)10(3)15(12)19-16/h18H,6-8H2,1-5H3
InChIKeyBEJBTVICPIVQDV-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one?
The IUPAC name of 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one (CID 145405922) is 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one.
What is the SMILES notation for 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one?
The canonical SMILES for 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one is CCC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1.
What is the InChIKey of 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one?
The InChIKey is BEJBTVICPIVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-6-13(17)16(5)8-7-12-11(4)14(18)9(2)10(3)15(12)19-16/h18H,6-8H2,1-5H3.
What are the key properties of 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one?
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one is sourced from PubChem (CID 145405922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).