5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one

C14H20O4 — CID 5250667

IUPAC5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one
SMILESC=C1C2=C(CCC(C)(C)O2)C(C)(O)C(=O)C1(C)O
InChIInChI=1S/C14H20O4/c1-8-10-9(6-7-12(2,3)18-10)14(5,17)11(15)13(8,4)16/h16-17H,1,6-7H2,2-5H3
InChIKeyLUCQUCLFMNDHRV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.47
Rot. Bonds

About 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one

5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one (PubChem CID 5250667) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one.

Molecular Properties

Compound Name5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one
PubChem CID5250667
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one
SMILESC=C1C2=C(CCC(C)(C)O2)C(C)(O)C(=O)C1(C)O
InChIInChI=1S/C14H20O4/c1-8-10-9(6-7-12(2,3)18-10)14(5,17)11(15)13(8,4)16/h16-17H,1,6-7H2,2-5H3
InChIKeyLUCQUCLFMNDHRV-UHFFFAOYSA-N
XLogP1.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one
CID 5250665
(2R,5R)-5-hydroxy-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-one
CID 21628431
(2R,5S)-5-hydroxy-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-one
CID 21628432
5-Hydroxy-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-one
CID 73814023

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one?
The IUPAC name of 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one (CID 5250667) is 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one.
What is the SMILES notation for 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one?
The canonical SMILES for 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one is C=C1C2=C(CCC(C)(C)O2)C(C)(O)C(=O)C1(C)O.
What is the InChIKey of 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one?
The InChIKey is LUCQUCLFMNDHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-8-10-9(6-7-12(2,3)18-10)14(5,17)11(15)13(8,4)16/h16-17H,1,6-7H2,2-5H3.
What are the key properties of 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one?
5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one is sourced from PubChem (CID 5250667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).