6-(4-methoxyphenyl)heptan-2-one

C14H20O2 — CID 101408915

IUPAC6-(4-methoxyphenyl)heptan-2-one
SMILESCOc1ccc(C(C)CCCC(C)=O)cc1
InChIInChI=1S/C14H20O2/c1-11(5-4-6-12(2)15)13-7-9-14(16-3)10-8-13/h7-11H,4-6H2,1-3H3
InChIKeyZOBVWXFTSLKJCZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.56
Rot. Bonds6

About 6-(4-methoxyphenyl)heptan-2-one

6-(4-methoxyphenyl)heptan-2-one (PubChem CID 101408915) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)heptan-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)heptan-2-one
PubChem CID101408915
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-(4-methoxyphenyl)heptan-2-one
SMILESCOc1ccc(C(C)CCCC(C)=O)cc1
InChIInChI=1S/C14H20O2/c1-11(5-4-6-12(2)15)13-7-9-14(16-3)10-8-13/h7-11H,4-6H2,1-3H3
InChIKeyZOBVWXFTSLKJCZ-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6-(4-methoxyphenyl)heptanoate
CID 174989555
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol
CID 160819739
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
N-[3-(4-methoxyphenyl)butyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119799837
6-(4-methoxyphenyl)hexadecan-8-one
CID 132549472
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
2-amino-N-[3-(4-methoxyphenyl)butyl]-3-methylpentanamide
CID 119799848
methyl (10R)-10-(4-acetylphenyl)undecanoate
CID 92532248
(4S)-5,5,5-trifluoro-4-(4-methoxyphenyl)pentan-2-one
CID 125476618

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)heptan-2-one?
The IUPAC name of 6-(4-methoxyphenyl)heptan-2-one (CID 101408915) is 6-(4-methoxyphenyl)heptan-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)heptan-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)heptan-2-one is COc1ccc(C(C)CCCC(C)=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)heptan-2-one?
The InChIKey is ZOBVWXFTSLKJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(5-4-6-12(2)15)13-7-9-14(16-3)10-8-13/h7-11H,4-6H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)heptan-2-one?
6-(4-methoxyphenyl)heptan-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)heptan-2-one is sourced from PubChem (CID 101408915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).