5-(5-ethyl-2-methoxyphenyl)heptan-2-one

C16H24O2 — CID 83942671

IUPAC5-(5-ethyl-2-methoxyphenyl)heptan-2-one
SMILESCCc1ccc(OC)c(C(CC)CCC(C)=O)c1
InChIInChI=1S/C16H24O2/c1-5-13-8-10-16(18-4)15(11-13)14(6-2)9-7-12(3)17/h8,10-11,14H,5-7,9H2,1-4H3
InChIKeyHJVGKGMUGWWZKU-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.12
Rot. Bonds7

About 5-(5-ethyl-2-methoxyphenyl)heptan-2-one

5-(5-ethyl-2-methoxyphenyl)heptan-2-one (PubChem CID 83942671) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(5-ethyl-2-methoxyphenyl)heptan-2-one.

Molecular Properties

Compound Name5-(5-ethyl-2-methoxyphenyl)heptan-2-one
PubChem CID83942671
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-(5-ethyl-2-methoxyphenyl)heptan-2-one
SMILESCCc1ccc(OC)c(C(CC)CCC(C)=O)c1
InChIInChI=1S/C16H24O2/c1-5-13-8-10-16(18-4)15(11-13)14(6-2)9-7-12(3)17/h8,10-11,14H,5-7,9H2,1-4H3
InChIKeyHJVGKGMUGWWZKU-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(5-ethyl-2-methoxyphenyl)heptan-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

5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
5-(2-hydroxy-3-methoxyphenyl)heptan-2-one
CID 83930594
5-(5-bromo-2,4-dimethoxyphenyl)heptan-2-one
CID 83925872
6-(2,5-dimethoxyphenyl)octan-3-one
CID 83938220
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
4-(5-ethyl-2-methoxyphenyl)heptan-1-amine
CID 83942664
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one
CID 83939803
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
5-(5-chloro-2,3,4-trimethoxyphenyl)heptan-2-one
CID 83925579

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methoxyphenyl)heptan-2-one?
The IUPAC name of 5-(5-ethyl-2-methoxyphenyl)heptan-2-one (CID 83942671) is 5-(5-ethyl-2-methoxyphenyl)heptan-2-one.
What is the SMILES notation for 5-(5-ethyl-2-methoxyphenyl)heptan-2-one?
The canonical SMILES for 5-(5-ethyl-2-methoxyphenyl)heptan-2-one is CCc1ccc(OC)c(C(CC)CCC(C)=O)c1.
What is the InChIKey of 5-(5-ethyl-2-methoxyphenyl)heptan-2-one?
The InChIKey is HJVGKGMUGWWZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-13-8-10-16(18-4)15(11-13)14(6-2)9-7-12(3)17/h8,10-11,14H,5-7,9H2,1-4H3.
What are the key properties of 5-(5-ethyl-2-methoxyphenyl)heptan-2-one?
5-(5-ethyl-2-methoxyphenyl)heptan-2-one has a molecular weight of 248.37 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methoxyphenyl)heptan-2-one is sourced from PubChem (CID 83942671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).