1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene

C22H28O2 — CID 132838740

IUPAC1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
SMILESCCC1C(CC)C(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C22H28O2/c1-5-19-20(6-2)22(16-9-13-18(24-4)14-10-16)21(19)15-7-11-17(23-3)12-8-15/h7-14,19-22H,5-6H2,1-4H3
InChIKeyFBFHTGPGJLSXON-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.64
Rot. Bonds6

About 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene

1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene (PubChem CID 132838740) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
PubChem CID132838740
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
SMILESCCC1C(CC)C(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C22H28O2/c1-5-19-20(6-2)22(16-9-13-18(24-4)14-10-16)21(19)15-7-11-17(23-3)12-8-15/h7-14,19-22H,5-6H2,1-4H3
InChIKeyFBFHTGPGJLSXON-UHFFFAOYSA-N
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
2-ethyl-3-(4-methoxyphenyl)cyclobutan-1-ol
CID 81416193
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
(2S,3R,4R,6R)-3-ethyl-2,6-bis(4-methoxyphenyl)piperidin-4-ol
CID 6587283
3-(4-methoxyphenyl)-2-propyloxaziridine
CID 22034391
9-(4-methoxyphenyl)-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 15123211
(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine
CID 124705549
(1S,2S,3S)-2-ethylsulfonyl-3-(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 124858498
(1R,2S,3R,4R,5R)-5-ethyl-3-(4-methoxyphenyl)-2,4-dinitrocyclohexan-1-ol
CID 101456272
(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine
CID 11013665
1-methoxy-4-methylbenzene;propane
CID 142064987

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene?
The IUPAC name of 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene (CID 132838740) is 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene?
The canonical SMILES for 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene is CCC1C(CC)C(c2ccc(OC)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene?
The InChIKey is FBFHTGPGJLSXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-5-19-20(6-2)22(16-9-13-18(24-4)14-10-16)21(19)15-7-11-17(23-3)12-8-15/h7-14,19-22H,5-6H2,1-4H3.
What are the key properties of 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene?
1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene has a molecular weight of 324.46 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene is sourced from PubChem (CID 132838740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).