6-methoxy-2-methyl-2-propyl-3H-chromen-4-one

C14H18O3 — CID 114673953

IUPAC6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
SMILESCCCC1(C)CC(=O)c2cc(OC)ccc2O1
InChIInChI=1S/C14H18O3/c1-4-7-14(2)9-12(15)11-8-10(16-3)5-6-13(11)17-14/h5-6,8H,4,7,9H2,1-3H3
InChIKeyKZQTYKMNQJTNMT-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.22
Rot. Bonds3

About 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one

6-methoxy-2-methyl-2-propyl-3H-chromen-4-one (PubChem CID 114673953) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
PubChem CID114673953
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
SMILESCCCC1(C)CC(=O)c2cc(OC)ccc2O1
InChIInChI=1S/C14H18O3/c1-4-7-14(2)9-12(15)11-8-10(16-3)5-6-13(11)17-14/h5-6,8H,4,7,9H2,1-3H3
InChIKeyKZQTYKMNQJTNMT-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
CID 114673827
2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one
CID 114673860
6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
CID 871802
2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
CID 82019251
6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114673893
(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one
CID 25417253
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-butylsulfonyl-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108783858
6-hydroxy-2-(10-hydroxydecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(14-hydroxytetradecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(13-hydroxytridecyl)-2-methyl-3H-chromen-4-one;6-hydroxy-2-(11-hydroxyundecyl)-2-methyl-3H-chromen-4-one
CID 173079143
6-hydroxy-2-(3-hydroxybutyl)-2-methyl-3H-chromen-4-one
CID 155550976
(2S)-6-hydroxy-2-(12-hydroxydodecyl)-2-methyl-3H-chromen-4-one
CID 67533788

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one?
The IUPAC name of 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one (CID 114673953) is 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one?
The canonical SMILES for 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one is CCCC1(C)CC(=O)c2cc(OC)ccc2O1.
What is the InChIKey of 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one?
The InChIKey is KZQTYKMNQJTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-7-14(2)9-12(15)11-8-10(16-3)5-6-13(11)17-14/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one?
6-methoxy-2-methyl-2-propyl-3H-chromen-4-one has a molecular weight of 234.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-2-propyl-3H-chromen-4-one is sourced from PubChem (CID 114673953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).