1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene

C26H34O — CID 21359829

IUPAC1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene
SMILESCc1ccc(-c2ccc(OC3CCC(C4CCC(C)CC4)CC3)cc2)cc1
InChIInChI=1S/C26H34O/c1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)27-26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h3-4,7-8,11-12,15-16,20,22,24,26H,5-6,9-10,13-14,17-18H2,1-2H3
InChIKeyQPKDGMGVKMAJQJ-UHFFFAOYSA-N
MW362.56 g/mol
LogP7.43
Rot. Bonds4

About 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene

1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene (PubChem CID 21359829) has the molecular formula C26H34O and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene
PubChem CID21359829
Molecular FormulaC26H34O
Molecular Weight362.56 g/mol
Exact Mass362.26
IUPAC Name1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene
SMILESCc1ccc(-c2ccc(OC3CCC(C4CCC(C)CC4)CC3)cc2)cc1
InChIInChI=1S/C26H34O/c1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)27-26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h3-4,7-8,11-12,15-16,20,22,24,26H,5-6,9-10,13-14,17-18H2,1-2H3
InChIKeyQPKDGMGVKMAJQJ-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-methyl-4-(4-methylphenoxy)cycloheptane
CID 142216583
1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene
CID 59265557
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-ethyl-4-(4-methylcyclohexyl)oxybenzene
CID 21137256
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885
1-[4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxy-4-(4-propan-2-yloxyphenyl)benzene
CID 130450383
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine
CID 130231092
1-methyl-4-(4-pentylcyclohexyl)oxybenzene
CID 20667925
methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 144724148
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
5-(4-cyclobutyloxyphenyl)-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 46239078

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene (CID 21359829) is 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene is Cc1ccc(-c2ccc(OC3CCC(C4CCC(C)CC4)CC3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene?
The InChIKey is QPKDGMGVKMAJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O/c1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)27-26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h3-4,7-8,11-12,15-16,20,22,24,26H,5-6,9-10,13-14,17-18H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene?
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene has a molecular weight of 362.56 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene is sourced from PubChem (CID 21359829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).