(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone

C18H20O3 — CID 5023093

IUPAC(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C18H20O3/c1-13(2)12-21-17-10-6-15(7-11-17)18(19)14-4-8-16(20-3)9-5-14/h4-11,13H,12H2,1-3H3
InChIKeyKKUJFYXBMCNBAX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.96
Rot. Bonds6

About (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone

(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone (PubChem CID 5023093) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
PubChem CID5023093
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C18H20O3/c1-13(2)12-21-17-10-6-15(7-11-17)18(19)14-4-8-16(20-3)9-5-14/h4-11,13H,12H2,1-3H3
InChIKeyKKUJFYXBMCNBAX-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
CID 110440877
[4-(2-methylpropoxy)benzoyl]phosphonic acid
CID 170613482
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606
N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937627
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate
CID 7284211

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone (CID 5023093) is (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone is COc1ccc(C(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone?
The InChIKey is KKUJFYXBMCNBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(2)12-21-17-10-6-15(7-11-17)18(19)14-4-8-16(20-3)9-5-14/h4-11,13H,12H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone?
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone has a molecular weight of 284.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 5023093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).