7-(6-methylheptan-2-yloxy)chromen-2-one

C17H22O3 — CID 71536949

IUPAC7-(6-methylheptan-2-yloxy)chromen-2-one
SMILESCC(C)CCCC(C)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)19-15-9-7-14-8-10-17(18)20-16(14)11-15/h7-13H,4-6H2,1-3H3
InChIKeyIAQJTRLGHXHGIV-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.39
Rot. Bonds6

About 7-(6-methylheptan-2-yloxy)chromen-2-one

7-(6-methylheptan-2-yloxy)chromen-2-one (PubChem CID 71536949) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-(6-methylheptan-2-yloxy)chromen-2-one.

Molecular Properties

Compound Name7-(6-methylheptan-2-yloxy)chromen-2-one
PubChem CID71536949
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name7-(6-methylheptan-2-yloxy)chromen-2-one
SMILESCC(C)CCCC(C)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)19-15-9-7-14-8-10-17(18)20-16(14)11-15/h7-13H,4-6H2,1-3H3
InChIKeyIAQJTRLGHXHGIV-UHFFFAOYSA-N
XLogP4.39
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-(6-methylheptan-2-yloxy)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(5-methylhexan-3-yloxy)chromen-2-one
CID 71536672
7-(4-methylhexan-3-yloxy)chromen-2-one
CID 71536673
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
(2-oxochromen-7-yl) 2-ethylhexanoate
CID 71476038
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
(2-oxochromen-7-yl) hypoiodite
CID 138751183
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
(2-oxochromen-7-yl) (3R)-3-phenylbutanoate
CID 7920875
(2-oxochromen-7-yl) butanoate
CID 781717
7-(2-hydroxypentoxy)chromen-2-one
CID 130287251
7-[(E)-4-hydroxy-3-methylbut-1-enoxy]chromen-2-one
CID 14585500
(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564420

Frequently Asked Questions

What is the IUPAC name of 7-(6-methylheptan-2-yloxy)chromen-2-one?
The IUPAC name of 7-(6-methylheptan-2-yloxy)chromen-2-one (CID 71536949) is 7-(6-methylheptan-2-yloxy)chromen-2-one.
What is the SMILES notation for 7-(6-methylheptan-2-yloxy)chromen-2-one?
The canonical SMILES for 7-(6-methylheptan-2-yloxy)chromen-2-one is CC(C)CCCC(C)Oc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-(6-methylheptan-2-yloxy)chromen-2-one?
The InChIKey is IAQJTRLGHXHGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)19-15-9-7-14-8-10-17(18)20-16(14)11-15/h7-13H,4-6H2,1-3H3.
What are the key properties of 7-(6-methylheptan-2-yloxy)chromen-2-one?
7-(6-methylheptan-2-yloxy)chromen-2-one has a molecular weight of 274.36 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methylheptan-2-yloxy)chromen-2-one is sourced from PubChem (CID 71536949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).