1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene

C24H32O3 — CID 59265586

IUPAC1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
SMILESCc1ccc(COc2ccc(OCCCOC3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32O3/c1-19-4-8-21(9-5-19)18-27-24-14-12-23(13-15-24)26-17-3-16-25-22-10-6-20(2)7-11-22/h4-5,8-9,12-15,20,22H,3,6-7,10-11,16-18H2,1-2H3
InChIKeyHOZMNRUGJPEDEL-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.94
Rot. Bonds9

About 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene

1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene (PubChem CID 59265586) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
PubChem CID59265586
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
SMILESCc1ccc(COc2ccc(OCCCOC3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32O3/c1-19-4-8-21(9-5-19)18-27-24-14-12-23(13-15-24)26-17-3-16-25-22-10-6-20(2)7-11-22/h4-5,8-9,12-15,20,22H,3,6-7,10-11,16-18H2,1-2H3
InChIKeyHOZMNRUGJPEDEL-UHFFFAOYSA-N
XLogP5.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene
CID 59265557
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene
CID 59265327
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
4-[3-(4-methylcyclohexyl)oxypropoxy]benzenecarbothioamide
CID 43291210
N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 62445094
1-[4-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]butyl]-4-[3-(4-methylcyclohexyl)oxypropoxy]benzene
CID 59265454
1,3-difluoro-5-(4-methylphenyl)-2-[3-[4-(4-pentoxyphenyl)cyclohexyl]oxypropoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 91318922
1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
CID 91279991
1-[6-[4-(6-methoxyhexoxy)cyclohexyl]hexoxy]-4-[[4-(4-methylcyclohexyl)cyclohexyl]peroxymethyl]benzene
CID 59265444
2-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]ethanethioamide
CID 43291208
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene?
The IUPAC name of 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene (CID 59265586) is 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene.
What is the SMILES notation for 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene?
The canonical SMILES for 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene is Cc1ccc(COc2ccc(OCCCOC3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene?
The InChIKey is HOZMNRUGJPEDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-19-4-8-21(9-5-19)18-27-24-14-12-23(13-15-24)26-17-3-16-25-22-10-6-20(2)7-11-22/h4-5,8-9,12-15,20,22H,3,6-7,10-11,16-18H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene?
1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene has a molecular weight of 368.52 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene is sourced from PubChem (CID 59265586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).