1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone

C19H22O2 — CID 155782277

IUPAC1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone
SMILESCCC(C)Cc1cc(Oc2ccccc2)ccc1C(C)=O
InChIInChI=1S/C19H22O2/c1-4-14(2)12-16-13-18(10-11-19(16)15(3)20)21-17-8-6-5-7-9-17/h5-11,13-14H,4,12H2,1-3H3
InChIKeyQDNUPVJMYJGPDY-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.27
Rot. Bonds6

About 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone

1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone (PubChem CID 155782277) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone
PubChem CID155782277
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone
SMILESCCC(C)Cc1cc(Oc2ccccc2)ccc1C(C)=O
InChIInChI=1S/C19H22O2/c1-4-14(2)12-16-13-18(10-11-19(16)15(3)20)21-17-8-6-5-7-9-17/h5-11,13-14H,4,12H2,1-3H3
InChIKeyQDNUPVJMYJGPDY-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
CID 144993710
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]-2-methylpropan-1-one
CID 167100895
4-methyl-5-(4-phenoxyphenyl)pentan-2-one
CID 83938966
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728
methyl 4-phenoxy-2-(propan-2-ylamino)benzoate
CID 72725192
(4-acetyl-3-ethylphenyl) hypofluorite
CID 153392017
2-(3-phenoxyphenyl)butanoic acid
CID 69314878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone?
The IUPAC name of 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone (CID 155782277) is 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone is CCC(C)Cc1cc(Oc2ccccc2)ccc1C(C)=O.
What is the InChIKey of 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone?
The InChIKey is QDNUPVJMYJGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-14(2)12-16-13-18(10-11-19(16)15(3)20)21-17-8-6-5-7-9-17/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone?
1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone has a molecular weight of 282.38 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone is sourced from PubChem (CID 155782277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).