1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene

C21H26O2 — CID 118595910

IUPAC1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
SMILESCOc1ccc(OCc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H26O2/c1-16-3-7-18(8-4-16)19-9-5-17(6-10-19)15-23-21-13-11-20(22-2)12-14-21/h5-6,9-14,16,18H,3-4,7-8,15H2,1-2H3
InChIKeyMWINWNMTDUALBB-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.57
Rot. Bonds5

About 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene

1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene (PubChem CID 118595910) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
PubChem CID118595910
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
SMILESCOc1ccc(OCc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H26O2/c1-16-3-7-18(8-4-16)19-9-5-17(6-10-19)15-23-21-13-11-20(22-2)12-14-21/h5-6,9-14,16,18H,3-4,7-8,15H2,1-2H3
InChIKeyMWINWNMTDUALBB-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118908560
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 159401504
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine
CID 54233658
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
4-(4-methoxyphenyl)-1-(4-methylcyclohexyl)piperidine
CID 175937232
pentakis(4-[[4-(4-butylcyclohexyl)phenyl]methoxy]benzenethiol);pentahydrofluoride
CID 173376017
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene?
The IUPAC name of 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene (CID 118595910) is 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene?
The canonical SMILES for 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene is COc1ccc(OCc2ccc(C3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene?
The InChIKey is MWINWNMTDUALBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-16-3-7-18(8-4-16)19-9-5-17(6-10-19)15-23-21-13-11-20(22-2)12-14-21/h5-6,9-14,16,18H,3-4,7-8,15H2,1-2H3.
What are the key properties of 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene?
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene has a molecular weight of 310.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene is sourced from PubChem (CID 118595910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).