5-(3-methoxyphenyl)hexan-2-one

C13H18O2 — CID 83928904

IUPAC5-(3-methoxyphenyl)hexan-2-one
SMILESCOc1cccc(C(C)CCC(C)=O)c1
InChIInChI=1S/C13H18O2/c1-10(7-8-11(2)14)12-5-4-6-13(9-12)15-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyAUTRFQMGZYLEFB-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.17
Rot. Bonds5

About 5-(3-methoxyphenyl)hexan-2-one

5-(3-methoxyphenyl)hexan-2-one (PubChem CID 83928904) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)hexan-2-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)hexan-2-one
PubChem CID83928904
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-(3-methoxyphenyl)hexan-2-one
SMILESCOc1cccc(C(C)CCC(C)=O)c1
InChIInChI=1S/C13H18O2/c1-10(7-8-11(2)14)12-5-4-6-13(9-12)15-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyAUTRFQMGZYLEFB-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
2-(3-methoxyphenyl)propane-1-thiol
CID 20523012
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
3-ethyl-7-(3-methoxyphenyl)octan-3-ol
CID 57274135
methyl 4-(3-methoxyphenyl)-5-oxohexanoate
CID 11770832
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
4-(3-methoxyphenyl)-3-methyloctane-2,5-dione
CID 70564422
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
(3R)-3-(3-methoxyphenyl)butanenitrile
CID 102340141
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)hexan-2-one?
The IUPAC name of 5-(3-methoxyphenyl)hexan-2-one (CID 83928904) is 5-(3-methoxyphenyl)hexan-2-one.
What is the SMILES notation for 5-(3-methoxyphenyl)hexan-2-one?
The canonical SMILES for 5-(3-methoxyphenyl)hexan-2-one is COc1cccc(C(C)CCC(C)=O)c1.
What is the InChIKey of 5-(3-methoxyphenyl)hexan-2-one?
The InChIKey is AUTRFQMGZYLEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(7-8-11(2)14)12-5-4-6-13(9-12)15-3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 5-(3-methoxyphenyl)hexan-2-one?
5-(3-methoxyphenyl)hexan-2-one has a molecular weight of 206.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)hexan-2-one is sourced from PubChem (CID 83928904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).