5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one

C14H20O3 — CID 5250665

IUPAC5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one
SMILESCC1=C(C)C2=C(CCC(C)(C)O2)C(C)(O)C1=O
InChIInChI=1S/C14H20O3/c1-8-9(2)12(15)14(5,16)10-6-7-13(3,4)17-11(8)10/h16H,6-7H2,1-5H3
InChIKeySDBJHEGPFHEGIS-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.50
Rot. Bonds

About 5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one

5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one (PubChem CID 5250665) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one.

Molecular Properties

Compound Name5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one
PubChem CID5250665
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one
SMILESCC1=C(C)C2=C(CCC(C)(C)O2)C(C)(O)C1=O
InChIInChI=1S/C14H20O3/c1-8-9(2)12(15)14(5,16)10-6-7-13(3,4)17-11(8)10/h16H,6-7H2,1-5H3
InChIKeySDBJHEGPFHEGIS-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lwwdggwfyuvcfw-uhfffaoysa-
CID 5248477
5,7-Dihydroxy-2,2,5,7-tetramethyl-8-methylidene-3,4-dihydrochromen-6-one
CID 5250667
Bolnvnumuybvru-uhfffaoysa-
CID 44631634
2,2,5,7,8-pentamethyl-4,5-dihydro-3H-chromen-6-one
CID 151696943
(2R,6S)-6-hydroxy-2,6,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-5-one
CID 21628429
(2R,6R)-6-hydroxy-2,6,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-5-one
CID 21628430
(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
(7R)-9-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),8-triene-5,10-dione
CID 21671483
6-Hydroxy-2,6,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-one
CID 73814022
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-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one?
The IUPAC name of 5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one (CID 5250665) is 5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one.
What is the SMILES notation for 5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one?
The canonical SMILES for 5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one is CC1=C(C)C2=C(CCC(C)(C)O2)C(C)(O)C1=O.
What is the InChIKey of 5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one?
The InChIKey is SDBJHEGPFHEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8-9(2)12(15)14(5,16)10-6-7-13(3,4)17-11(8)10/h16H,6-7H2,1-5H3.
What are the key properties of 5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one?
5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-one is sourced from PubChem (CID 5250665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).