2-(2-methylpentoxy)-1-phenylethanone

C14H20O2 — CID 103284390

IUPAC2-(2-methylpentoxy)-1-phenylethanone
SMILESCCCC(C)COCC(=O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-12(2)10-16-11-14(15)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3
InChIKeyZVWJHCQAKUNUNS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.32
Rot. Bonds7

About 2-(2-methylpentoxy)-1-phenylethanone

2-(2-methylpentoxy)-1-phenylethanone (PubChem CID 103284390) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-methylpentoxy)-1-phenylethanone
PubChem CID103284390
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2-methylpentoxy)-1-phenylethanone
SMILESCCCC(C)COCC(=O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-7-12(2)10-16-11-14(15)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3
InChIKeyZVWJHCQAKUNUNS-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(2-methylpentoxy)ethanone
CID 103284438
phenacyl 2-propylpentanoate
CID 3018234
2-phenacyloxy-1-phenylethanone
CID 12781821
1-(5-chlorothiophen-2-yl)-2-(2-methylpentoxy)ethanone
CID 103284397
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
4-methylheptyl benzoate
CID 163114376
methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
CID 103284850
2-(ethylamino)-3-(2-methylpentoxy)-2-phenylpropanamide
CID 103284960
2-(2-methylpentoxy)-1-phenylethanamine
CID 103283488
2-(3,7-dimethyloct-6-enoxy)-1-phenylethanone
CID 121429527
3-(2-methylpentoxy)-1-phenylpropan-1-ol
CID 103284714
N-methyl-2-(2-methylpentoxy)-1-phenylethanamine
CID 103283317

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-1-phenylethanone?
The IUPAC name of 2-(2-methylpentoxy)-1-phenylethanone (CID 103284390) is 2-(2-methylpentoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2-methylpentoxy)-1-phenylethanone?
The canonical SMILES for 2-(2-methylpentoxy)-1-phenylethanone is CCCC(C)COCC(=O)c1ccccc1.
What is the InChIKey of 2-(2-methylpentoxy)-1-phenylethanone?
The InChIKey is ZVWJHCQAKUNUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-7-12(2)10-16-11-14(15)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3.
What are the key properties of 2-(2-methylpentoxy)-1-phenylethanone?
2-(2-methylpentoxy)-1-phenylethanone has a molecular weight of 220.31 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-1-phenylethanone is sourced from PubChem (CID 103284390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).