1-(2-methoxy-6-methylphenyl)pentan-1-one

C13H18O2 — CID 83950102

IUPAC1-(2-methoxy-6-methylphenyl)pentan-1-one
SMILESCCCCC(=O)c1c(C)cccc1OC
InChIInChI=1S/C13H18O2/c1-4-5-8-11(14)13-10(2)7-6-9-12(13)15-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyYYKYYBYREORPAN-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.38
Rot. Bonds5

About 1-(2-methoxy-6-methylphenyl)pentan-1-one

1-(2-methoxy-6-methylphenyl)pentan-1-one (PubChem CID 83950102) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-6-methylphenyl)pentan-1-one
PubChem CID83950102
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(2-methoxy-6-methylphenyl)pentan-1-one
SMILESCCCCC(=O)c1c(C)cccc1OC
InChIInChI=1S/C13H18O2/c1-4-5-8-11(14)13-10(2)7-6-9-12(13)15-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyYYKYYBYREORPAN-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067
2-butyl-1,3-dimethoxybenzene
CID 524840
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one
CID 72551323
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
1-(4-methoxy-2-methylnaphthalen-1-yl)butan-1-one
CID 154120780
(3-methoxy-2-pentanoyloxyphenyl) pentanoate
CID 90032115
4-(2,6-dimethoxyphenyl)-4-oxobutanamide
CID 70615258
(2-hydroxy-3-methylphenyl) hexanoate
CID 101290723
1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one
CID 174476921

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylphenyl)pentan-1-one?
The IUPAC name of 1-(2-methoxy-6-methylphenyl)pentan-1-one (CID 83950102) is 1-(2-methoxy-6-methylphenyl)pentan-1-one.
What is the SMILES notation for 1-(2-methoxy-6-methylphenyl)pentan-1-one?
The canonical SMILES for 1-(2-methoxy-6-methylphenyl)pentan-1-one is CCCCC(=O)c1c(C)cccc1OC.
What is the InChIKey of 1-(2-methoxy-6-methylphenyl)pentan-1-one?
The InChIKey is YYKYYBYREORPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-5-8-11(14)13-10(2)7-6-9-12(13)15-3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-methoxy-6-methylphenyl)pentan-1-one?
1-(2-methoxy-6-methylphenyl)pentan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylphenyl)pentan-1-one is sourced from PubChem (CID 83950102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).