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

C18H26O3 — CID 72523898

IUPAC1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)C(C)(C)C)O2
InChIInChI=1S/C18H26O3/c1-10-11(2)15-13(12(3)14(10)19)8-9-18(7,21-15)16(20)17(4,5)6/h19H,8-9H2,1-7H3
InChIKeyLAHKRPDCBZOABG-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.02
Rot. Bonds1

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

1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 72523898) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
PubChem CID72523898
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)C(C)(C)C)O2
InChIInChI=1S/C18H26O3/c1-10-11(2)15-13(12(3)14(10)19)8-9-18(7,21-15)16(20)17(4,5)6/h19H,8-9H2,1-7H3
InChIKeyLAHKRPDCBZOABG-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.02
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)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one (CID 72523898) is 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)C(C)(C)C)O2.
What is the InChIKey of 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is LAHKRPDCBZOABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-10-11(2)15-13(12(3)14(10)19)8-9-18(7,21-15)16(20)17(4,5)6/h19H,8-9H2,1-7H3.
What are the key properties of 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one?
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 290.40 g/mol, XLogP of 4.02, 1 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)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 72523898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).