3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one

C19H22O2 — CID 105091669

IUPAC3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
SMILESCCC(C)CC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-3-15(2)12-19(20)17-10-7-11-18(13-17)21-14-16-8-5-4-6-9-16/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyOPCFZIYBPDCXEV-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.88
Rot. Bonds7

About 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one

3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one (PubChem CID 105091669) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
PubChem CID105091669
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
SMILESCCC(C)CC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-3-15(2)12-19(20)17-10-7-11-18(13-17)21-14-16-8-5-4-6-9-16/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyOPCFZIYBPDCXEV-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 114971379
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3,5,5-trimethylhexan-1-one
CID 146006669
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid
CID 10689868
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one?
The IUPAC name of 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one (CID 105091669) is 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one.
What is the SMILES notation for 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one?
The canonical SMILES for 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one is CCC(C)CC(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one?
The InChIKey is OPCFZIYBPDCXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-15(2)12-19(20)17-10-7-11-18(13-17)21-14-16-8-5-4-6-9-16/h4-11,13,15H,3,12,14H2,1-2H3.
What are the key properties of 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one?
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one is sourced from PubChem (CID 105091669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).