1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene

C22H24O — CID 142914167

IUPAC1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene
SMILESCCc1ccc(COC(C2=CCCC=C2)c2ccccc2)cc1
InChIInChI=1S/C22H24O/c1-2-18-13-15-19(16-14-18)17-23-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-7,9-16,22H,2,4,8,17H2,1H3
InChIKeyUELKCNITPVISBW-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.78
Rot. Bonds6

About 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene

1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene (PubChem CID 142914167) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene
PubChem CID142914167
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene
SMILESCCc1ccc(COC(C2=CCCC=C2)c2ccccc2)cc1
InChIInChI=1S/C22H24O/c1-2-18-13-15-19(16-14-18)17-23-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-7,9-16,22H,2,4,8,17H2,1H3
InChIKeyUELKCNITPVISBW-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
benzhydryloxymethylbenzene
CID 11437288
[(R)-cyclohexen-1-yl(phenyl)methoxy]methylbenzene
CID 101068109
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol
CID 173221736
(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
CID 165151813
N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine
CID 105349406
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
CID 173281402
N-(4-cyclohexa-1,5-dien-1-yl-4-phenylbut-1-en-2-yl)-2-methylbutan-2-amine
CID 165399029
1-(2-benzhydryloxyethyl)-4-(3-cyclohexa-1,5-dien-1-ylpropyl)piperazine
CID 176945295
3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 143394771

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene?
The IUPAC name of 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene (CID 142914167) is 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene.
What is the SMILES notation for 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene?
The canonical SMILES for 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene is CCc1ccc(COC(C2=CCCC=C2)c2ccccc2)cc1.
What is the InChIKey of 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene?
The InChIKey is UELKCNITPVISBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-2-18-13-15-19(16-14-18)17-23-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3,5-7,9-16,22H,2,4,8,17H2,1H3.
What are the key properties of 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene?
1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene has a molecular weight of 304.43 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene is sourced from PubChem (CID 142914167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).