1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone

C21H24O3 — CID 71146282

IUPAC1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2cccc(CCC3CC3)c2C(C)=O)cc1
InChIInChI=1S/C21H24O3/c1-15(22)21-18(11-8-16-6-7-16)4-3-5-20(21)24-14-17-9-12-19(23-2)13-10-17/h3-5,9-10,12-13,16H,6-8,11,14H2,1-2H3
InChIKeyCJOBXPXCRGMZCN-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.82
Rot. Bonds8

About 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone

1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 71146282) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID71146282
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2cccc(CCC3CC3)c2C(C)=O)cc1
InChIInChI=1S/C21H24O3/c1-15(22)21-18(11-8-16-6-7-16)4-3-5-20(21)24-14-17-9-12-19(23-2)13-10-17/h3-5,9-10,12-13,16H,6-8,11,14H2,1-2H3
InChIKeyCJOBXPXCRGMZCN-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
CID 106202167
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
CID 56995818
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
CID 102035798
ethyl 2-[2-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 11974612
1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one
CID 141265886
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
2-(fluoromethoxy)-6-[(4-methoxyphenyl)methoxymethyl]benzamide
CID 90852782
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol
CID 170171124

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone (CID 71146282) is 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(COc2cccc(CCC3CC3)c2C(C)=O)cc1.
What is the InChIKey of 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is CJOBXPXCRGMZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-15(22)21-18(11-8-16-6-7-16)4-3-5-20(21)24-14-17-9-12-19(23-2)13-10-17/h3-5,9-10,12-13,16H,6-8,11,14H2,1-2H3.
What are the key properties of 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 71146282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).