1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone

C14H18O3 — CID 12529749

IUPAC1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone
SMILESCC(=O)c1cc2c(c(C)c1O)OC(C)(C)CC2
InChIInChI=1S/C14H18O3/c1-8-12(16)11(9(2)15)7-10-5-6-14(3,4)17-13(8)10/h7,16H,5-6H2,1-4H3
InChIKeyNOJICWLYBQTGGB-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.01
Rot. Bonds1

About 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone

1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone (PubChem CID 12529749) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone
PubChem CID12529749
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone
SMILESCC(=O)c1cc2c(c(C)c1O)OC(C)(C)CC2
InChIInChI=1S/C14H18O3/c1-8-12(16)11(9(2)15)7-10-5-6-14(3,4)17-13(8)10/h7,16H,5-6H2,1-4H3
InChIKeyNOJICWLYBQTGGB-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,6-trimethyl-3,4-dihydrochromene-8-carboxylic acid
CID 171787688
2,2,7-trimethyl-3,4-dihydrochromene-6-carboxylic acid
CID 117097203
(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate
CID 70637977
8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
CID 90338042
1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83885873
6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
CID 14296398
1-(3,4,5a,9-tetrahydroxy-10-methyl-10b,11-dihydro-6H-indeno[2,1-b]chromen-8-yl)ethanone
CID 163863889
8-bromo-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 23238946
8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 171787900
6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid
CID 138473069
1-(4-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 121003381
1-(4-bromo-3-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanone
CID 22490884

Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone?
The IUPAC name of 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone (CID 12529749) is 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone.
What is the SMILES notation for 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone?
The canonical SMILES for 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone is CC(=O)c1cc2c(c(C)c1O)OC(C)(C)CC2.
What is the InChIKey of 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone?
The InChIKey is NOJICWLYBQTGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-8-12(16)11(9(2)15)7-10-5-6-14(3,4)17-13(8)10/h7,16H,5-6H2,1-4H3.
What are the key properties of 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone?
1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone has a molecular weight of 234.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone is sourced from PubChem (CID 12529749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).