1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone

C13H18O3 — CID 117052432

IUPAC1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1OC(C)(C)C
InChIInChI=1S/C13H18O3/c1-9(14)10-6-7-11(15-5)12(8-10)16-13(2,3)4/h6-8H,1-5H3
InChIKeyTZTRGIITSYTZEC-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.08
Rot. Bonds3

About 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone

1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone (PubChem CID 117052432) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
PubChem CID117052432
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1OC(C)(C)C
InChIInChI=1S/C13H18O3/c1-9(14)10-6-7-11(15-5)12(8-10)16-13(2,3)4/h6-8H,1-5H3
InChIKeyTZTRGIITSYTZEC-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone 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-chloro-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 59637041
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560
3,4-dimethoxybenzoic acid;methanol
CID 144580050
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
CID 22015651
1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
CID 82540809

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone (CID 117052432) is 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone is COc1ccc(C(C)=O)cc1OC(C)(C)C.
What is the InChIKey of 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone?
The InChIKey is TZTRGIITSYTZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(14)10-6-7-11(15-5)12(8-10)16-13(2,3)4/h6-8H,1-5H3.
What are the key properties of 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone?
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone has a molecular weight of 222.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone is sourced from PubChem (CID 117052432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).