1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone

C14H20O3 — CID 68617560

IUPAC1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
SMILESCCC(CC)Oc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C14H20O3/c1-5-12(6-2)17-14-9-11(10(3)15)7-8-13(14)16-4/h7-9,12H,5-6H2,1-4H3
InChIKeyQTILIYTUWOPTPM-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.47
Rot. Bonds6

About 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone

1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone (PubChem CID 68617560) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
PubChem CID68617560
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
SMILESCCC(CC)Oc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C14H20O3/c1-5-12(6-2)17-14-9-11(10(3)15)7-8-13(14)16-4/h7-9,12H,5-6H2,1-4H3
InChIKeyQTILIYTUWOPTPM-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-pentan-3-yloxybenzoyl chloride
CID 21187835
1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one
CID 144508137
1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
CID 22015651
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone
CID 124851733
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
CID 63531574
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone?
The IUPAC name of 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone (CID 68617560) is 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone?
The canonical SMILES for 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone is CCC(CC)Oc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone?
The InChIKey is QTILIYTUWOPTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-12(6-2)17-14-9-11(10(3)15)7-8-13(14)16-4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone?
1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone is sourced from PubChem (CID 68617560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).