(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone

C19H22O3 — CID 14297404

IUPAC(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(CC(C)C)cc2)cc1OC
InChIInChI=1S/C19H22O3/c1-13(2)11-14-5-7-15(8-6-14)19(20)16-9-10-17(21-3)18(12-16)22-4/h5-10,12-13H,11H2,1-4H3
InChIKeyBDAXKKSKLDWETJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.13
Rot. Bonds6

About (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone

(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 14297404) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID14297404
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(CC(C)C)cc2)cc1OC
InChIInChI=1S/C19H22O3/c1-13(2)11-14-5-7-15(8-6-14)19(20)16-9-10-17(21-3)18(12-16)22-4/h5-10,12-13H,11H2,1-4H3
InChIKeyBDAXKKSKLDWETJ-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 63491623
(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43160247
3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782152
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 115368731
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
1-(3,4-dimethoxyphenyl)-3-methylbutane-1,2-dione
CID 94686678

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone (CID 14297404) is (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone is COc1ccc(C(=O)c2ccc(CC(C)C)cc2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is BDAXKKSKLDWETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-13(2)11-14-5-7-15(8-6-14)19(20)16-9-10-17(21-3)18(12-16)22-4/h5-10,12-13H,11H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone?
(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 298.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 14297404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).