1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene

C23H28O — CID 162702470

IUPAC1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene
SMILESCCc1ccc(OCC2=C(c3ccccc3)CCCC2)c(C)c1C
InChIInChI=1S/C23H28O/c1-4-19-14-15-23(18(3)17(19)2)24-16-21-12-8-9-13-22(21)20-10-6-5-7-11-20/h5-7,10-11,14-15H,4,8-9,12-13,16H2,1-3H3
InChIKeyXGGMMTBPJIADRQ-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.27
Rot. Bonds5

About 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene

1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene (PubChem CID 162702470) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene
PubChem CID162702470
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene
SMILESCCc1ccc(OCC2=C(c3ccccc3)CCCC2)c(C)c1C
InChIInChI=1S/C23H28O/c1-4-19-14-15-23(18(3)17(19)2)24-16-21-12-8-9-13-22(21)20-10-6-5-7-11-20/h5-7,10-11,14-15H,4,8-9,12-13,16H2,1-3H3
InChIKeyXGGMMTBPJIADRQ-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 3-[4-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-2,3-dimethylphenyl]propanoate
CID 153340325
4-[2,3-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]methoxy]phenyl]butan-2-one
CID 139480699
2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde
CID 90426997
methyl 4-[4-[[(1E)-2-phenylcyclododecen-1-yl]methoxy]phenyl]butanoate
CID 118679821
2-bromo-1-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-4-ethylbenzene;carbon dioxide
CID 163763845
3-[4-[[5,5-difluoro-2-(4-fluorophenyl)cyclohexen-1-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 139479820
1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene
CID 143169475
3-[4-[[2-(3-ethyl-4-methylphenyl)-5-fluoro-5-methylcyclohexen-1-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 139480260
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
CID 139480362
3-[2-(phenoxymethyl)cyclohepten-1-yl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 118679832
3-[4-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-3-(4-methylsulfanylbutyl)phenyl]propanoic acid
CID 139480331

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene?
The IUPAC name of 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene (CID 162702470) is 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene?
The canonical SMILES for 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene is CCc1ccc(OCC2=C(c3ccccc3)CCCC2)c(C)c1C.
What is the InChIKey of 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene?
The InChIKey is XGGMMTBPJIADRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-4-19-14-15-23(18(3)17(19)2)24-16-21-12-8-9-13-22(21)20-10-6-5-7-11-20/h5-7,10-11,14-15H,4,8-9,12-13,16H2,1-3H3.
What are the key properties of 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene?
1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene has a molecular weight of 320.48 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene is sourced from PubChem (CID 162702470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).