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

C14H20O3 — CID 5248477

IUPAC6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one
SMILESCC1=C(C)C(C)(O)C(=O)C2=C1OC(C)(C)CC2
InChIInChI=1S/C14H20O3/c1-8-9(2)14(5,16)12(15)10-6-7-13(3,4)17-11(8)10/h16H,6-7H2,1-5H3
InChIKeyLWWDGGWFYUVCFW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.50
Rot. Bonds

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

6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one (PubChem CID 5248477) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one.

Molecular Properties

Compound Name6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one
PubChem CID5248477
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one
SMILESCC1=C(C)C(C)(O)C(=O)C2=C1OC(C)(C)CC2
InChIInChI=1S/C14H20O3/c1-8-9(2)14(5,16)12(15)10-6-7-13(3,4)17-11(8)10/h16H,6-7H2,1-5H3
InChIKeyLWWDGGWFYUVCFW-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

6-(hydroxymethylimino)-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-5-one
CID 123907391
2,2,5,6-tetramethyl-3H-1-benzofuran-4,7-dione
CID 10954716
2,2,7-trimethyl-4,6,7,8-tetrahydro-3H-chromen-5-one
CID 155931225
2-(2,2,5-trimethyl-3,4-dihydropyran-6-yl)penta-2,4-dienal
CID 123414080
acetyl acetate;(6-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-5-yl) acetate;2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 161074046
2,2-dimethylspiro[3,4,6,7,8,9-hexahydrobenzo[g]chromene-10,2'-oxirane]-5-one
CID 66559977
cis-(2R,3S)-3-acetyl-2-hydroxy-2,3-dimethylcyclopentan-1-one
CID 139094652
4,10,10-trimethyl-11-oxa-3-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,7(12),13,15-pentaene-2,6-diol
CID 10566061
2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione
CID 3081993
(10S)-2,2-dimethylspiro[3,4-dihydrobenzo[g]chromene-10,2'-oxirane]-5-one
CID 139058671
2-hydroxy-2-methyl-5-propan-2-ylidenecyclopentan-1-one
CID 91374834
(5R)-5-hydroxy-2,3,5-trimethylcyclohex-2-ene-1,4-dione
CID 170009983

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one?
The IUPAC name of 6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one (CID 5248477) is 6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one.
What is the SMILES notation for 6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one?
The canonical SMILES for 6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one is CC1=C(C)C(C)(O)C(=O)C2=C1OC(C)(C)CC2.
What is the InChIKey of 6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one?
The InChIKey is LWWDGGWFYUVCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8-9(2)14(5,16)12(15)10-6-7-13(3,4)17-11(8)10/h16H,6-7H2,1-5H3.
What are the key properties of 6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one?
6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-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 6-hydroxy-2,2,6,7,8-pentamethyl-3,4-dihydrochromen-5-one is sourced from PubChem (CID 5248477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).