1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one

C16H26O3 — CID 144508137

IUPAC1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one
SMILESCC(C)=O.CCC(CC)Oc1cc(C)ccc1OC
InChIInChI=1S/C13H20O2.C3H6O/c1-5-11(6-2)15-13-9-10(3)7-8-12(13)14-4;1-3(2)4/h7-9,11H,5-6H2,1-4H3;1-2H3
InChIKeyXFUONCVOFVAZHL-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.17
Rot. Bonds5

About 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one

1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one (PubChem CID 144508137) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one.

Molecular Properties

Compound Name1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one
PubChem CID144508137
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one
SMILESCC(C)=O.CCC(CC)Oc1cc(C)ccc1OC
InChIInChI=1S/C13H20O2.C3H6O/c1-5-11(6-2)15-13-9-10(3)7-8-12(13)14-4;1-3(2)4/h7-9,11H,5-6H2,1-4H3;1-2H3
InChIKeyXFUONCVOFVAZHL-UHFFFAOYSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-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

1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560
4-methoxy-3-pentan-3-yloxybenzoyl chloride
CID 21187835
3-(2-methoxy-4-methylphenoxy)pentanimidamide
CID 43368449
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 60834543
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 114965728
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 115795319
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one?
The IUPAC name of 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one (CID 144508137) is 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one.
What is the SMILES notation for 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one?
The canonical SMILES for 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one is CC(C)=O.CCC(CC)Oc1cc(C)ccc1OC.
What is the InChIKey of 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one?
The InChIKey is XFUONCVOFVAZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C3H6O/c1-5-11(6-2)15-13-9-10(3)7-8-12(13)14-4;1-3(2)4/h7-9,11H,5-6H2,1-4H3;1-2H3.
What are the key properties of 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one?
1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one has a molecular weight of 266.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one is sourced from PubChem (CID 144508137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).