3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one

C19H22O2 — CID 146005137

IUPAC3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
SMILESCc1cc(OCc2ccccc2)ccc1C(=O)CC(C)C
InChIInChI=1S/C19H22O2/c1-14(2)11-19(20)18-10-9-17(12-15(18)3)21-13-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3
InChIKeyBHEFRMOSOSVVSH-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.80
Rot. Bonds6

About 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one

3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one (PubChem CID 146005137) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
PubChem CID146005137
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
SMILESCc1cc(OCc2ccccc2)ccc1C(=O)CC(C)C
InChIInChI=1S/C19H22O2/c1-14(2)11-19(20)18-10-9-17(12-15(18)3)21-13-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3
InChIKeyBHEFRMOSOSVVSH-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
1-(2-methyl-4-phenylmethoxyphenyl)-2-thiophen-2-ylethanone
CID 146005163
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one
CID 143735072
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
2,2,3,3,4,4,4-heptafluoro-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005146
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
ethane;4-phenylmethoxyphthalic acid
CID 90802135
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one?
The IUPAC name of 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one (CID 146005137) is 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one?
The canonical SMILES for 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one is Cc1cc(OCc2ccccc2)ccc1C(=O)CC(C)C.
What is the InChIKey of 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one?
The InChIKey is BHEFRMOSOSVVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)11-19(20)18-10-9-17(12-15(18)3)21-13-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one?
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one is sourced from PubChem (CID 146005137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).