1-[4-(2-methylpropoxy)phenyl]ethanone

C12H16O2 — CID 2063678

IUPAC1-[4-(2-methylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C12H16O2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13/h4-7,9H,8H2,1-3H3
InChIKeyACRYHNAGXRLMAC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.92
Rot. Bonds4

About 1-[4-(2-methylpropoxy)phenyl]ethanone

1-[4-(2-methylpropoxy)phenyl]ethanone (PubChem CID 2063678) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[4-(2-methylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylpropoxy)phenyl]ethanone
PubChem CID2063678
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[4-(2-methylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C12H16O2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13/h4-7,9H,8H2,1-3H3
InChIKeyACRYHNAGXRLMAC-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
[4-(2-methylpropoxy)benzoyl]phosphonic acid
CID 170613482
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
[4-(2-methylpropoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17149614
2-chloro-2,2-difluoro-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 171367486
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414
1-[4-(iodomethoxy)phenyl]ethanone
CID 118233287

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(2-methylpropoxy)phenyl]ethanone (CID 2063678) is 1-[4-(2-methylpropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-methylpropoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-methylpropoxy)phenyl]ethanone is CC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 1-[4-(2-methylpropoxy)phenyl]ethanone?
The InChIKey is ACRYHNAGXRLMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropoxy)phenyl]ethanone?
1-[4-(2-methylpropoxy)phenyl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropoxy)phenyl]ethanone is sourced from PubChem (CID 2063678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).