3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one

C14H18O2 — CID 118203784

IUPAC3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one
SMILESCCC1(C)CC(=O)c2c(O)c(C)cc(C)c21
InChIInChI=1S/C14H18O2/c1-5-14(4)7-10(15)11-12(14)8(2)6-9(3)13(11)16/h6,16H,5,7H2,1-4H3
InChIKeyBALKXOPYPLBKKF-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.26
Rot. Bonds1

About 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one

3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one (PubChem CID 118203784) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one.

Molecular Properties

Compound Name3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one
PubChem CID118203784
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one
SMILESCCC1(C)CC(=O)c2c(O)c(C)cc(C)c21
InChIInChI=1S/C14H18O2/c1-5-14(4)7-10(15)11-12(14)8(2)6-9(3)13(11)16/h6,16H,5,7H2,1-4H3
InChIKeyBALKXOPYPLBKKF-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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7-Hydroxy-1-indanone
CID 248078
2'-Hydroxy-4',5'-dimethylacetophenone
CID 118976
4-Hydroxy-7-methyl-1-indanone
CID 5005111
2-Hydroxy-3,6-dimethylbenzoic acid
CID 261630
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CID 9905016
1-(6-Hydroxy-1,2-dihydroacenaphthylen-5-yl)ethanone
CID 749958
2-Formyl-17beta-estradiol
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1-(2-Hydroxy-3,5-dimethylphenyl)ethan-1-one
CID 2758561

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one?
The IUPAC name of 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one (CID 118203784) is 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one.
What is the SMILES notation for 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one?
The canonical SMILES for 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one is CCC1(C)CC(=O)c2c(O)c(C)cc(C)c21.
What is the InChIKey of 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one?
The InChIKey is BALKXOPYPLBKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-14(4)7-10(15)11-12(14)8(2)6-9(3)13(11)16/h6,16H,5,7H2,1-4H3.
What are the key properties of 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one?
3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-hydroxy-3,4,6-trimethyl-2H-inden-1-one is sourced from PubChem (CID 118203784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).