4-methyl-3-(4-phenylphenoxy)hexan-2-one

C19H22O2 — CID 67565039

IUPAC4-methyl-3-(4-phenylphenoxy)hexan-2-one
SMILESCCC(C)C(Oc1ccc(-c2ccccc2)cc1)C(C)=O
InChIInChI=1S/C19H22O2/c1-4-14(2)19(15(3)20)21-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-14,19H,4H2,1-3H3
InChIKeyYRBNEJFLSLSKTB-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.74
Rot. Bonds6

About 4-methyl-3-(4-phenylphenoxy)hexan-2-one

4-methyl-3-(4-phenylphenoxy)hexan-2-one (PubChem CID 67565039) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-methyl-3-(4-phenylphenoxy)hexan-2-one.

Molecular Properties

Compound Name4-methyl-3-(4-phenylphenoxy)hexan-2-one
PubChem CID67565039
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name4-methyl-3-(4-phenylphenoxy)hexan-2-one
SMILESCCC(C)C(Oc1ccc(-c2ccccc2)cc1)C(C)=O
InChIInChI=1S/C19H22O2/c1-4-14(2)19(15(3)20)21-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-14,19H,4H2,1-3H3
InChIKeyYRBNEJFLSLSKTB-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(4-phenylphenoxy)octan-2-one
CID 67564259
3-methyl-2-phenoxypentanamide
CID 173059765
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672618
(4-phenylphenyl) (2S)-2-methylbutanoate
CID 18638110
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
(4-phenylphenoxy)methyl 2-methylbutanoate
CID 58925073
benzyl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672716
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
CID 19828999

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-phenylphenoxy)hexan-2-one?
The IUPAC name of 4-methyl-3-(4-phenylphenoxy)hexan-2-one (CID 67565039) is 4-methyl-3-(4-phenylphenoxy)hexan-2-one.
What is the SMILES notation for 4-methyl-3-(4-phenylphenoxy)hexan-2-one?
The canonical SMILES for 4-methyl-3-(4-phenylphenoxy)hexan-2-one is CCC(C)C(Oc1ccc(-c2ccccc2)cc1)C(C)=O.
What is the InChIKey of 4-methyl-3-(4-phenylphenoxy)hexan-2-one?
The InChIKey is YRBNEJFLSLSKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-14(2)19(15(3)20)21-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-14,19H,4H2,1-3H3.
What are the key properties of 4-methyl-3-(4-phenylphenoxy)hexan-2-one?
4-methyl-3-(4-phenylphenoxy)hexan-2-one has a molecular weight of 282.38 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-phenylphenoxy)hexan-2-one is sourced from PubChem (CID 67565039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).